| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.6 | Very low | 46.6 | Very low | 207 Ų | 207 | 116 Ų | 116 | 100% | 1.02 | 60% | 0.601 | S | S | * | * | 0 | -59 | 0 | -93.1 | -172.6 | 137.5 | 0 | 0 | 113.8 | Y4 | M1-Y4 VanDerWaalsContact O-CB 3.31Å; M1-Y4 WeakPolarHBondContact O-CB 3.17Å; M1-Y4 PolarHBondContact O-N 3.32Å | |||
| 2 | N | 38.2 | Very low | 46.5 | Very low | 111 Ų | 111 | 114.7 Ų | 114.7 | 59% | 0.594 | 60% | 0.595 | S | S | * | * | trans | -83.2 | -14.1 | 172.7 | -73.3 | -42.7 | 0 | 0 | 0 | 113.5 | Y4 K5 S6 | N2-Y4 PolarHBondContact O-N 3.08Å; N2-K5 WeakPolarHBondContact O-CA 3.47Å; N2-K5 VanDerWaalsContact O-CB 3.25Å; N2-K5 WeakPolarHBondContact O-CB 3.49Å; N2-K5 PolarHBondContact O-N 2.82Å; N2-K5 VanDerWaalsContact OD1-CD 3.26Å; N2-K5 WeakPolarHBondContact OD1-CD 3.25Å; N2-K5 VanDerWaalsContact OD1-CE 3.23Å; N2-K5 WeakPolarHBondContact OD1-CE 3.48Å; N2-K5 PolarHBondContact OD1-NZ 3.47Å; N2-S6 PolarHBondContact O-N 3.33Å | ||
| 3 | L | 46.9 | Very low | 46.9 | Very low | 152 Ų | 152 | 112 Ų | 112 | 80% | 0.796 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -23.9 | 164.6 | -78.5 | 150.9 | 0 | 0 | 0 | 112.5 | K5 S6 | L3-K5 VanDerWaalsContact C-N 3.35Å; L3-S6 WeakPolarHBondContact O-CA 3.46Å; L3-S6 WeakPolarHBondContact O-CB 3.4Å; L3-S6 PolarHBondContact O-N 3.23Å |
| 4 | Y | 48 | Very low | 47.5 | Very low | 119 Ų | 119 | 110.1 Ų | 110.1 | 47% | 0.467 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.7 | -11.7 | 170.6 | 174.2 | -86 | 0 | 0 | 0 | 112.1 | M1 N2 V8 W665 | M1-Y4 VanDerWaalsContact O-CB 3.31Å; M1-Y4 WeakPolarHBondContact O-CB 3.17Å; M1-Y4 PolarHBondContact O-N 3.32Å; N2-Y4 PolarHBondContact O-N 3.08Å; Y4-V8 WeakPolarHBondContact O-CG2 3.4Å; Y4-W665 HydrophobicContact CE2-CD2 4.38Å; Y4-W665 AromaticContact CE2-CE2 3.87Å; Y4-W665 HydrophobicContact CE2-CZ2 4.09Å; Y4-W665 AromaticContact CE2-NE1 3.93Å; Y4-W665 AromaticContact CZ-CD2 3.72Å; Y4-W665 AromaticContact CZ-CE2 3.64Å; Y4-W665 AromaticContact CZ-CZ2 3.93Å; Y4-W665 VanDerWaalsContact OH-CE3 3.3Å; Y4-W665 PolarHBondContact OH-NE1 3.32Å |
| 5 | K | 44.1 | Very low | 47.6 | Very low | 117 Ų | 117 | 112.1 Ų | 112.1 | 51% | 0.509 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -79.1 | -16.7 | 155.5 | -68.5 | -180 | 178 | 159 | 0 | 113 | N2 L3 S7 V8 Y9 | N2-K5 WeakPolarHBondContact O-CA 3.47Å; N2-K5 VanDerWaalsContact O-CB 3.25Å; N2-K5 WeakPolarHBondContact O-CB 3.49Å; N2-K5 PolarHBondContact O-N 2.82Å; N2-K5 VanDerWaalsContact OD1-CD 3.26Å; N2-K5 WeakPolarHBondContact OD1-CD 3.25Å; N2-K5 VanDerWaalsContact OD1-CE 3.23Å; N2-K5 WeakPolarHBondContact OD1-CE 3.48Å; N2-K5 PolarHBondContact OD1-NZ 3.47Å; L3-K5 VanDerWaalsContact C-N 3.35Å; K5-S7 VanDerWaalsContact C-N 3.29Å; K5-S7 PolarHBondContact O-N 2.96Å; K5-V8 CarbonylContact O-C 3.54Å; K5-V8 WeakPolarHBondContact O-CA 3.22Å; K5-V8 VanDerWaalsContact O-CB 3.31Å; K5-V8 WeakPolarHBondContact O-CB 3.12Å; K5-V8 PolarHBondContact O-N 3.36Å; K5-Y9 PolarHBondContact O-N 3.36Å |
| 6 | S | 51.6 | Low | 47.6 | Very low | 80 Ų | 80 | 117.1 Ų | 117.1 | 56% | 0.559 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.1 | -21.5 | 175.9 | 134.4 | 0 | 0 | 0 | 0 | 112.6 | N2 L3 S10 | N2-S6 PolarHBondContact O-N 3.33Å; L3-S6 WeakPolarHBondContact O-CA 3.46Å; L3-S6 WeakPolarHBondContact O-CB 3.4Å; L3-S6 PolarHBondContact O-N 3.23Å; S6-S10 PolarHBondContact O-N 3.24Å |
| 7 | S | 51.3 | Low | 48.1 | Very low | 70 Ų | 70 | 113.3 Ų | 113.3 | 49% | 0.49 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.7 | -30.2 | 160.7 | 172.1 | 0 | 0 | 0 | 0 | 112.9 | K5 S10 | K5-S7 VanDerWaalsContact C-N 3.29Å; K5-S7 PolarHBondContact O-N 2.96Å; S7-S10 VanDerWaalsContact O-CB 3.28Å; S7-S10 WeakPolarHBondContact O-CB 3.33Å; S7-S10 PolarHBondContact O-N 3Å |
| 8 | V | 50.1 | Low | 48.4 | Very low | 75 Ų | 75 | 108.9 Ų | 108.9 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -78 | -29.6 | -179.9 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | Y4 K5 L11 | Y4-V8 WeakPolarHBondContact O-CG2 3.4Å; K5-V8 CarbonylContact O-C 3.54Å; K5-V8 WeakPolarHBondContact O-CA 3.22Å; K5-V8 VanDerWaalsContact O-CB 3.31Å; K5-V8 WeakPolarHBondContact O-CB 3.12Å; K5-V8 PolarHBondContact O-N 3.36Å; V8-L11 WeakPolarHBondContact O-CB 3.47Å; V8-L11 PolarHBondContact O-N 3.05Å |
| 9 | Y | 46.1 | Very low | 48.3 | Very low | 160 Ų | 160 | 107.1 Ų | 107.1 | 63% | 0.627 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -82.6 | -18.3 | 167.8 | -87.5 | -100.1 | 0 | 0 | 0 | 113 | K5 L11 L12 T13 | K5-Y9 PolarHBondContact O-N 3.36Å; Y9-L11 PolarHBondContact O-N 3.34Å; Y9-L11 VanDerWaalsContact O-N 3.1Å; Y9-L12 HydrophobicContact CD1-CB 4.44Å; Y9-L12 HydrophobicContact CD1-CD1 3.12Å; Y9-L12 HydrophobicContact CD1-CG 4.37Å; Y9-L12 HydrophobicContact CE1-CD1 3.17Å; Y9-L12 HydrophobicContact CG-CD1 3.87Å; Y9-L12 WeakPolarHBondContact O-CB 3.25Å; Y9-L12 PolarHBondContact O-N 3.45Å; Y9-T13 PolarHBondContact O-N 3.44Å; Y9-T13 VanDerWaalsContact O-N 3.14Å; Y9-T13 PolarHBondContact O-OG1 3.17Å |
| 10 | S | 54.7 | Low | 48.6 | Very low | 74 Ų | 74 | 105.5 Ų | 105.5 | 52% | 0.517 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -4.1 | 162.4 | -164.9 | 0 | 0 | 0 | 0 | 112.8 | S6 S7 T13 | S6-S10 PolarHBondContact O-N 3.24Å; S7-S10 VanDerWaalsContact O-CB 3.28Å; S7-S10 WeakPolarHBondContact O-CB 3.33Å; S7-S10 PolarHBondContact O-N 3Å; S10-T13 CarbonylContact C-O 3.6Å; S10-T13 VanDerWaalsContact CA-OG1 3.24Å; S10-T13 WeakPolarHBondContact CA-OG1 3.44Å; S10-T13 CarbonylContact O-C 3.59Å |
| 11 | L | 45.1 | Very low | 48.7 | Very low | 111 Ų | 111 | 105.8 Ų | 105.8 | 58% | 0.581 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -18.6 | 169.9 | -143.4 | 95.7 | 0 | 0 | 0 | 112.1 | V8 Y9 L15 | V8-L11 WeakPolarHBondContact O-CB 3.47Å; V8-L11 PolarHBondContact O-N 3.05Å; Y9-L11 PolarHBondContact O-N 3.34Å; Y9-L11 VanDerWaalsContact O-N 3.1Å; L11-L15 WeakPolarHBondContact O-CD1 3.42Å |
| 12 | L | 45.8 | Very low | 49 | Very low | 100 Ų | 100 | 101.2 Ų | 101.2 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -42.7 | 167.8 | -92.5 | 150 | 0 | 0 | 0 | 110.3 | Y9 N14 L15 | Y9-L12 HydrophobicContact CD1-CB 4.44Å; Y9-L12 HydrophobicContact CD1-CD1 3.12Å; Y9-L12 HydrophobicContact CD1-CG 4.37Å; Y9-L12 HydrophobicContact CE1-CD1 3.17Å; Y9-L12 HydrophobicContact CG-CD1 3.87Å; Y9-L12 WeakPolarHBondContact O-CB 3.25Å; Y9-L12 PolarHBondContact O-N 3.45Å; L12-N14 VanDerWaalsContact C-N 3.3Å; L12-N14 PolarHBondContact O-N 2.89Å; L12-L15 WeakPolarHBondContact O-CB 3.43Å; L12-L15 PolarHBondContact O-N 3.44Å |
| 13 | T | 51.2 | Low | 49.3 | Very low | 80 Ų | 80 | 100.7 Ų | 100.7 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 72.5 | 159.2 | 53.8 | 0 | 0 | 0 | 0 | 108.1 | Y9 S10 | Y9-T13 PolarHBondContact O-N 3.44Å; Y9-T13 VanDerWaalsContact O-N 3.14Å; Y9-T13 PolarHBondContact O-OG1 3.17Å; S10-T13 CarbonylContact C-O 3.6Å; S10-T13 VanDerWaalsContact CA-OG1 3.24Å; S10-T13 WeakPolarHBondContact CA-OG1 3.44Å; S10-T13 CarbonylContact O-C 3.59Å |
| 14 | N | 55.1 | Low | 49.4 | Very low | 86 Ų | 86 | 98.9 Ų | 98.9 | 46% | 0.46 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | -157.5 | 37.5 | 80.4 | -83.3 | -21.4 | 0 | 0 | 0 | 110.4 | L12 Y16 S17 I18 | L12-N14 VanDerWaalsContact C-N 3.3Å; L12-N14 PolarHBondContact O-N 2.89Å; N14-Y16 PolarHBondContact O-N 2.78Å; N14-S17 WeakPolarHBondContact CB-OG 3.2Å; N14-S17 CarbonylContact O-C 3.56Å; N14-S17 WeakPolarHBondContact O-CA 3.16Å; N14-S17 WeakPolarHBondContact O-CB 3.28Å; N14-S17 PolarHBondContact O-N 2.98Å; N14-S17 PolarHBondContact OD1-OG 3.42Å; N14-I18 PolarHBondContact O-N 3.33Å | |
| 15 | L | 49.3 | Very low | 49 | Very low | 140 Ų | 140 | 97 Ų | 97 | 73% | 0.733 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.2 | 164.3 | -120.9 | 82.5 | 0 | 0 | 0 | 112 | L11 L12 | L11-L15 WeakPolarHBondContact O-CD1 3.42Å; L12-L15 WeakPolarHBondContact O-CB 3.43Å; L12-L15 PolarHBondContact O-N 3.44Å |
| 16 | Y | 48.1 | Very low | 49 | Very low | 191 Ų | 191 | 95.1 Ų | 95.1 | 75% | 0.749 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -78.3 | -32.8 | 165.6 | -115.3 | -89 | 0 | 0 | 0 | 113.3 | N14 I18 N19 | N14-Y16 PolarHBondContact O-N 2.78Å; Y16-I18 PolarHBondContact O-N 3.47Å; Y16-N19 WeakPolarHBondContact CD1-ND2 3.29Å; Y16-N19 WeakPolarHBondContact CE1-ND2 3.35Å; Y16-N19 VanDerWaalsContact O-CB 3.3Å; Y16-N19 WeakPolarHBondContact O-CB 3.22Å; Y16-N19 PolarHBondContact O-N 2.8Å; Y16-N19 PolarHBondContact O-ND2 3.41Å; Y16-N19 VanDerWaalsContact O-ND2 3.08Å |
| 17 | S | 55.9 | Low | 48.8 | Very low | 53 Ų | 53 | 97.3 Ų | 97.3 | 37% | 0.371 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 54.6 | 163.6 | -11.3 | 0 | 0 | 0 | 0 | 106.4 | N14 | N14-S17 WeakPolarHBondContact CB-OG 3.2Å; N14-S17 CarbonylContact O-C 3.56Å; N14-S17 WeakPolarHBondContact O-CA 3.16Å; N14-S17 WeakPolarHBondContact O-CB 3.28Å; N14-S17 PolarHBondContact O-N 2.98Å; N14-S17 PolarHBondContact OD1-OG 3.42Å |
| 18 | I | 53.7 | Low | 48.5 | Very low | 35 Ų | 35 | 99.7 Ų | 99.7 | 18% | 0.179 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | -155.6 | 69.1 | 96.9 | -80.8 | 139.4 | 0 | 0 | 0 | 109.6 | N14 Y16 L20 I21 P706 | N14-I18 PolarHBondContact O-N 3.33Å; Y16-I18 PolarHBondContact O-N 3.47Å; I18-L20 VanDerWaalsContact CA-CB 3.48Å; I18-L20 HydrophobicContact CB-CB 3.61Å; I18-L20 HydrophobicContact CG1-CB 3.39Å; I18-L20 HydrophobicContact CG1-CD1 3.7Å; I18-L20 HydrophobicContact CG1-CD2 3.82Å; I18-L20 HydrophobicContact CG1-CG 3.81Å; I18-L20 HydrophobicContact CG2-CB 3.71Å; I18-L20 HydrophobicContact CG2-CD2 4.35Å; I18-L20 PolarHBondContact O-N 2.82Å; I18-I21 HydrophobicContact CG2-CB 3.92Å; I18-I21 HydrophobicContact CG2-CD1 3.9Å; I18-I21 HydrophobicContact CG2-CG1 3.54Å; I18-I21 WeakPolarHBondContact O-CB 3.38Å; I18-I21 PolarHBondContact O-N 3.47Å; I18-P706 HydrophobicContact CD1-CB 3.77Å; I18-P706 HydrophobicContact CD1-CG 4.07Å; I18-P706 HydrophobicContact CG1-CB 4.37Å | |
| 19 | N | 46.8 | Very low | 47.8 | Very low | 74 Ų | 74 | 100.9 Ų | 100.9 | 40% | 0.396 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | -48.7 | -13.1 | 127.4 | -84.9 | -92.1 | 0 | 0 | 0 | 111.1 | Y16 I21 I22 I23 | Y16-N19 WeakPolarHBondContact CD1-ND2 3.29Å; Y16-N19 WeakPolarHBondContact CE1-ND2 3.35Å; Y16-N19 VanDerWaalsContact O-CB 3.3Å; Y16-N19 WeakPolarHBondContact O-CB 3.22Å; Y16-N19 PolarHBondContact O-N 2.8Å; Y16-N19 PolarHBondContact O-ND2 3.41Å; Y16-N19 VanDerWaalsContact O-ND2 3.08Å; N19-I21 PolarHBondContact O-N 3.46Å; N19-I22 CarbonylContact O-C 3.59Å; N19-I22 WeakPolarHBondContact O-CA 3.48Å; N19-I22 WeakPolarHBondContact O-CB 3.28Å; N19-I22 PolarHBondContact O-N 3.49Å; N19-I23 PolarHBondContact O-N 2.77Å | |
| 20 | L | 54.3 | Low | 47.5 | Very low | 75 Ų | 75 | 97 Ų | 97 | 39% | 0.393 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -9.7 | 163.1 | -161.2 | 163.8 | 0 | 0 | 0 | 111.8 | I18 I22 F24 P706 | I18-L20 VanDerWaalsContact CA-CB 3.48Å; I18-L20 HydrophobicContact CB-CB 3.61Å; I18-L20 HydrophobicContact CG1-CB 3.39Å; I18-L20 HydrophobicContact CG1-CD1 3.7Å; I18-L20 HydrophobicContact CG1-CD2 3.82Å; I18-L20 HydrophobicContact CG1-CG 3.81Å; I18-L20 HydrophobicContact CG2-CB 3.71Å; I18-L20 HydrophobicContact CG2-CD2 4.35Å; I18-L20 PolarHBondContact O-N 2.82Å; L20-I22 VanDerWaalsContact C-N 3.34Å; L20-F24 VanDerWaalsContact O-CB 3.23Å; L20-F24 WeakPolarHBondContact O-CB 3.35Å; L20-F24 PolarHBondContact O-N 3.25Å; L20-P706 HydrophobicContact CD1-CB 4.33Å; L20-P706 HydrophobicContact CD1-CG 4.11Å; L20-P706 HydrophobicContact CD2-CB 4.23Å |
| 21 | I | 49.3 | Very low | 46.8 | Very low | 111 Ų | 111 | 97 Ų | 97 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.9 | -29.7 | 157.8 | -88.9 | 154.2 | 0 | 0 | 0 | 109.6 | I18 N19 F24 C25 | I18-I21 HydrophobicContact CG2-CB 3.92Å; I18-I21 HydrophobicContact CG2-CD1 3.9Å; I18-I21 HydrophobicContact CG2-CG1 3.54Å; I18-I21 WeakPolarHBondContact O-CB 3.38Å; I18-I21 PolarHBondContact O-N 3.47Å; N19-I21 PolarHBondContact O-N 3.46Å; I21-F24 WeakPolarHBondContact O-CB 3.3Å; I21-F24 PolarHBondContact O-N 2.82Å; I21-C25 PolarHBondContact O-N 3.44Å; I21-C25 PolarHBondContact O-SG 3.41Å |
| 22 | I | 43.9 | Very low | 46.5 | Very low | 111 Ų | 111 | 97.6 Ų | 97.6 | 57% | 0.569 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -81.6 | -23 | 175.2 | -53.3 | 174.8 | 0 | 0 | 0 | 110.8 | N19 L20 C25 | N19-I22 CarbonylContact O-C 3.59Å; N19-I22 WeakPolarHBondContact O-CA 3.48Å; N19-I22 WeakPolarHBondContact O-CB 3.28Å; N19-I22 PolarHBondContact O-N 3.49Å; L20-I22 VanDerWaalsContact C-N 3.34Å; I22-C25 VanDerWaalsContact O-CB 3.32Å; I22-C25 WeakPolarHBondContact O-CB 3.16Å; I22-C25 PolarHBondContact O-N 2.87Å |
| 23 | I | 43.1 | Very low | 46.1 | Very low | 101 Ų | 101 | 101.4 Ų | 101.4 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -79.9 | -34.2 | 163.5 | -62.7 | 169.7 | 0 | 0 | 0 | 111.8 | N19 C25 T26 F27 | N19-I23 PolarHBondContact O-N 2.77Å; I23-C25 PolarHBondContact O-N 3.17Å; I23-T26 WeakPolarHBondContact CA-OG1 3.03Å; I23-T26 WeakPolarHBondContact O-CA 3.25Å; I23-T26 PolarHBondContact O-N 2.82Å; I23-T26 PolarHBondContact O-OG1 3.48Å; I23-F27 PolarHBondContact O-N 2.92Å; I23-F27 VanDerWaalsContact O-N 3.15Å |
| 24 | F | 49.8 | Very low | 45.3 | Very low | 113 Ų | 113 | 103.6 Ų | 103.6 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.7 | -33.5 | 165.9 | -177.3 | -96.1 | 0 | 0 | 0 | 110.6 | L20 I21 T26 F27 L28 | L20-F24 VanDerWaalsContact O-CB 3.23Å; L20-F24 WeakPolarHBondContact O-CB 3.35Å; L20-F24 PolarHBondContact O-N 3.25Å; I21-F24 WeakPolarHBondContact O-CB 3.3Å; I21-F24 PolarHBondContact O-N 2.82Å; F24-T26 VanDerWaalsContact C-N 3.34Å; F24-T26 PolarHBondContact O-N 2.8Å; F24-F27 PolarHBondContact O-N 3.34Å; F24-F27 VanDerWaalsContact O-N 3.1Å; F24-L28 HydrophobicContact CD1-CD1 4.47Å; F24-L28 HydrophobicContact CE1-CD1 3.76Å; F24-L28 HydrophobicContact CZ-CD1 4.04Å; F24-L28 PolarHBondContact O-N 3.03Å; F24-L28 VanDerWaalsContact O-N 3.08Å |
| 25 | C | 40.4 | Very low | 44.4 | Very low | 79 Ų | 79 | 101.4 Ų | 101.4 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.5 | -14.4 | 167.5 | -68.7 | 0 | 0 | 0 | 0 | 115.6 | I21 I22 I23 | I21-C25 PolarHBondContact O-N 3.44Å; I21-C25 PolarHBondContact O-SG 3.41Å; I22-C25 VanDerWaalsContact O-CB 3.32Å; I22-C25 WeakPolarHBondContact O-CB 3.16Å; I22-C25 PolarHBondContact O-N 2.87Å; I23-C25 PolarHBondContact O-N 3.17Å |
| 26 | T | 43 | Very low | 43.3 | Very low | 78 Ų | 78 | 104.2 Ų | 104.2 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -87.5 | -19.3 | 162.9 | 18.5 | 0 | 0 | 0 | 0 | 113.4 | I23 F24 L29 | I23-T26 WeakPolarHBondContact CA-OG1 3.03Å; I23-T26 WeakPolarHBondContact O-CA 3.25Å; I23-T26 PolarHBondContact O-N 2.82Å; I23-T26 PolarHBondContact O-OG1 3.48Å; F24-T26 VanDerWaalsContact C-N 3.34Å; F24-T26 PolarHBondContact O-N 2.8Å; T26-L29 WeakPolarHBondContact O-CB 3.14Å |
| 27 | F | 47.5 | Very low | 42.5 | Very low | 126 Ų | 126 | 107.1 Ų | 107.1 | 55% | 0.553 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -98.5 | -16 | -176.2 | -106.7 | -78.4 | 0 | 0 | 0 | 116 | I23 F24 L29 F88 | I23-F27 PolarHBondContact O-N 2.92Å; I23-F27 VanDerWaalsContact O-N 3.15Å; F24-F27 PolarHBondContact O-N 3.34Å; F24-F27 VanDerWaalsContact O-N 3.1Å; F27-L29 VanDerWaalsContact C-N 3.3Å; F27-F88 HydrophobicContact CD1-CE1 4.23Å; F27-F88 AromaticContact CD1-CZ 3.86Å; F27-F88 HydrophobicContact CD1-CZ 3.86Å; F27-F88 AromaticContact CE1-CD1 3.88Å; F27-F88 HydrophobicContact CE1-CD1 3.88Å; F27-F88 AromaticContact CE1-CE1 3.11Å; F27-F88 HydrophobicContact CE1-CE1 3.11Å; F27-F88 AromaticContact CE1-CE2 3.97Å; F27-F88 HydrophobicContact CE1-CE2 3.97Å; F27-F88 AromaticContact CE1-CZ 3.12Å; F27-F88 HydrophobicContact CE1-CZ 3.12Å; F27-F88 AromaticContact CE2-CE1 3.9Å; F27-F88 HydrophobicContact CE2-CE1 3.9Å; F27-F88 HydrophobicContact CE2-CZ 4.2Å; F27-F88 AromaticContact CZ-CD1 3.79Å; F27-F88 HydrophobicContact CZ-CD1 3.79Å; F27-F88 AromaticContact CZ-CE1 2.93Å; F27-F88 HydrophobicContact CZ-CE1 2.93Å; F27-F88 AromaticContact CZ-CZ 3.38Å; F27-F88 HydrophobicContact CZ-CZ 3.38Å |
| 28 | L | 44.6 | Very low | 41.2 | Very low | 121 Ų | 121 | 106.2 Ų | 106.2 | 63% | 0.634 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -85.1 | -5.4 | 158.9 | -77.7 | 174.7 | 0 | 0 | 0 | 112.7 | F24 P30 | F24-L28 HydrophobicContact CD1-CD1 4.47Å; F24-L28 HydrophobicContact CE1-CD1 3.76Å; F24-L28 HydrophobicContact CZ-CD1 4.04Å; F24-L28 PolarHBondContact O-N 3.03Å; F24-L28 VanDerWaalsContact O-N 3.08Å; L28-P30 WeakPolarHBondContact O-CD 3.13Å |
| 29 | L | 36.5 | Very low | 40 | Very low | 100 Ų | 100 | 111 Ų | 111 | 52% | 0.524 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -74.4 | 111.8 | 162.1 | -81.8 | 166.6 | 0 | 0 | 0 | 107.9 | T26 F27 T31 | T26-L29 WeakPolarHBondContact O-CB 3.14Å; F27-L29 VanDerWaalsContact C-N 3.3Å; L29-T31 HydrophobicContact CB-CG2 4.25Å; L29-T31 PolarHBondContact O-N 3.44Å |
| 30 | P | 38.8 | Very low | 39.8 | Very low | 77 Ų | 77 | 111.6 Ų | 111.6 | 50% | 0.5 | 59% | 0.589 | S | S | . | * | trans | -61.6 | 95.7 | 145.6 | 28.8 | -31.3 | 0 | 0 | 0 | 105.6 | L28 N32 | L28-P30 WeakPolarHBondContact O-CD 3.13Å; P30-N32 HydrophobicContact CB-CB 4.36Å; P30-N32 PolarHBondContact O-N 2.98Å | ||
| 31 | T | 40.3 | Very low | 38.9 | Very low | 75 Ų | 75 | 114.3 Ų | 114.3 | 46% | 0.46 | 60% | 0.604 | S | S | . | * | trans | -72.9 | 62.8 | 152.4 | 59.9 | 0 | 0 | 0 | 0 | 107.5 | L29 E33 I34 | L29-T31 HydrophobicContact CB-CG2 4.25Å; L29-T31 PolarHBondContact O-N 3.44Å; T31-E33 PolarHBondContact O-N 3.12Å; T31-I34 HydrophobicContact CG2-CD1 3.7Å; T31-I34 HydrophobicContact CG2-CG1 4.17Å; T31-I34 PolarHBondContact O-N 3.38Å | ||
| 32 | N | 39.5 | Very low | 38.8 | Very low | 123 Ų | 123 | 113.2 Ų | 113.2 | 66% | 0.658 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 11.2 | 161.6 | -84.7 | -21.3 | 0 | 0 | 0 | 111.4 | P30 | P30-N32 HydrophobicContact CB-CB 4.36Å; P30-N32 PolarHBondContact O-N 2.98Å |
| 33 | E | 36.6 | Very low | 39 | Very low | 180 Ų | 180 | 113.8 Ų | 113.8 | 84% | 0.841 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.9 | 12.8 | 178.1 | -67.9 | -160.6 | 157.4 | 0 | 0 | 115.6 | T31 | T31-E33 PolarHBondContact O-N 3.12Š|
| 34 | I | 35.6 | Very low | 39.5 | Very low | 126 Ų | 126 | 114.5 Ų | 114.5 | 65% | 0.646 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -79.8 | -13.1 | 160.9 | -66.7 | 170.1 | 0 | 0 | 0 | 111 | T31 F36 | T31-I34 HydrophobicContact CG2-CD1 3.7Å; T31-I34 HydrophobicContact CG2-CG1 4.17Å; T31-I34 PolarHBondContact O-N 3.38Å; I34-F36 PolarHBondContact O-N 3.47Å |
| 35 | G | 36.2 | Very low | 39.8 | Very low | 40 Ų | 40 | 111 Ų | 111 | 41% | 0.412 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -75.4 | 99.8 | 156 | 0 | 0 | 0 | 0 | 0 | 109.1 | R37 | G35-R37 PolarHBondContact O-N 3.31Š|
| 36 | F | 25.8 | Very low | 40.3 | Very low | 200 Ų | 200 | 111 Ų | 111 | 88% | 0.877 | 60% | 0.604 | S | S | * | * | trans | -41.4 | 105.1 | 158.2 | -108.9 | -95.8 | 0 | 0 | 0 | 108.1 | I34 G38 | I34-F36 PolarHBondContact O-N 3.47Å; F36-G38 PolarHBondContact O-N 3.24Å | ||
| 37 | R | 31.6 | Very low | 40.4 | Very low | 252 Ų | 252 | 116 Ų | 116 | 95% | 0.951 | 62% | 0.622 | S | S | * | * | trans | -75.6 | 62.6 | 169 | -158.9 | 179.9 | -168.3 | -174.2 | 3.5 | 107.2 | G35 | G35-R37 PolarHBondContact O-N 3.31Š| ||
| 38 | G | 27.6 | Very low | 40.5 | Very low | 34 Ų | 34 | 113.1 Ų | 113.1 | 35% | 0.351 | 61% | 0.612 | S | S | . | * | trans | -70.8 | 130.4 | 167 | 0 | 0 | 0 | 0 | 0 | 107.8 | F36 V40 | F36-G38 PolarHBondContact O-N 3.24Å; G38-V40 PolarHBondContact O-N 3.12Å | ||
| 39 | P | 29.1 | Very low | 40.5 | Very low | 135 Ų | 135 | 115 Ų | 115 | 88% | 0.877 | 62% | 0.617 | S | S | * | * | trans | -66 | 104 | 169 | 28.6 | -29.9 | 0 | 0 | 0 | 107 | ||||
| 40 | V | 41.7 | Very low | 41.1 | Very low | 87 Ų | 87 | 112.6 Ų | 112.6 | 53% | 0.527 | 62% | 0.616 | S | S | . | * | trans | -96.2 | 132.8 | 163.1 | -178.5 | 0 | 0 | 0 | 0 | 106.4 | G38 S42 L73 | G38-V40 PolarHBondContact O-N 3.12Å; V40-S42 PolarHBondContact O-N 3.41Å; V40-L73 HydrophobicContact CG1-CD1 4.39Å; V40-L73 HydrophobicContact CG2-CD1 4.3Å | ||
| 41 | D | 34.8 | Very low | 41.5 | Very low | 132 Ų | 132 | 111.6 Ų | 111.6 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | trans | -48.1 | 113.4 | -179.1 | -73.6 | -43.1 | 0 | 0 | 0 | 110.4 | N43 | D41-N43 PolarHBondContact O-N 3.48Š| ||
| 42 | S | 48.8 | Very low | 42.1 | Very low | 88 Ų | 88 | 109.5 Ų | 109.5 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -0.2 | -179.6 | 47.2 | 0 | 0 | 0 | 0 | 114.4 | V40 A46 | V40-S42 PolarHBondContact O-N 3.41Å; S42-A46 WeakPolarHBondContact O-CB 3.49Å; S42-A46 PolarHBondContact O-N 2.85Å; S42-A46 VanDerWaalsContact O-N 3.11Å |
| 43 | N | 46.7 | Very low | 43 | Very low | 123 Ų | 123 | 106.4 Ų | 106.4 | 66% | 0.658 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -20.3 | -171.5 | -64.6 | -12.6 | 0 | 0 | 0 | 114 | D41 | D41-N43 PolarHBondContact O-N 3.48Š|
| 44 | I | 54.3 | Low | 44.5 | Very low | 115 Ų | 115 | 100.3 Ų | 100.3 | 59% | 0.59 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -34.3 | 178.8 | -61.8 | 174.4 | 0 | 0 | 0 | 111.3 | ||
| 45 | F | 57 | Low | 46.2 | Very low | 40 Ų | 40 | 95.8 Ų | 95.8 | 18% | 0.175 | 54% | 0.537 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -9.3 | -175 | -59.6 | -73.2 | 0 | 0 | 0 | 114.3 | E47 I48 M61 L73 I74 F78 | F45-E47 PolarHBondContact O-N 3.04Å; F45-I48 PolarHBondContact O-N 2.88Å; F45-M61 HydrophobicContact CE1-CE 3.97Å; F45-L73 HydrophobicContact CE2-CD2 3.88Å; F45-L73 HydrophobicContact CE2-CG 4.07Å; F45-L73 HydrophobicContact CZ-CD2 4.34Å; F45-L73 HydrophobicContact CZ-CG 4.49Å; F45-I74 HydrophobicContact CE1-CG1 4.3Å; F45-I74 HydrophobicContact CZ-CG1 4.12Å; F45-F78 AromaticContact CD1-CD2 3.95Å; F45-F78 HydrophobicContact CD1-CD2 3.95Å; F45-F78 HydrophobicContact CE1-CD2 4.12Å |
| 46 | A | 49.8 | Very low | 47.9 | Very low | 78 Ų | 78 | 95 Ų | 95 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S42 | S42-A46 WeakPolarHBondContact O-CB 3.49Å; S42-A46 PolarHBondContact O-N 2.85Å; S42-A46 VanDerWaalsContact O-N 3.11Å |
| 47 | E | 45.2 | Very low | 50.4 | Low | 183 Ų | 183 | 87.9 Ų | 87.9 | 86% | 0.855 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -11.1 | -178.8 | -148.2 | 160.2 | -150.1 | 0 | 0 | 113 | F45 E49 | F45-E47 PolarHBondContact O-N 3.04Å; E47-E49 PolarHBondContact O-N 2.81Å |
| 48 | I | 50.1 | Low | 52.8 | Low | 67 Ų | 67 | 75.9 Ų | 75.9 | 34% | 0.344 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -92.9 | 97.3 | 170.3 | -54.2 | 174.7 | 0 | 0 | 0 | 105.9 | F45 G50 M61 F78 | F45-I48 PolarHBondContact O-N 2.88Å; I48-G50 PolarHBondContact O-N 3.4Å; I48-M61 HydrophobicContact CD1-CE 4.49Å; I48-F78 HydrophobicContact CD1-CE2 3.78Å; I48-F78 HydrophobicContact CG2-CE2 4.22Å |
| 49 | E | 45.2 | Very low | 55.4 | Low | 159 Ų | 159 | 75.6 Ų | 75.6 | 74% | 0.743 | 44% | 0.439 | S | S | * | . | trans | -44.2 | 131.3 | 167.6 | -99.6 | 168.7 | 153.7 | 0 | 0 | 108.9 | E47 D51 | E47-E49 PolarHBondContact O-N 2.81Å; E49-D51 PolarHBondContact O-N 2.85Å | ||
| 50 | G | 48.7 | Very low | 57.9 | Low | 50 Ų | 50 | 78 Ų | 78 | 52% | 0.515 | 43% | 0.43 | S | S | . | . | trans | -69.6 | 90.4 | -165.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I48 | I48-G50 PolarHBondContact O-N 3.4Š| ||
| 51 | D | 46.9 | Very low | 59.9 | Low | 56 Ų | 56 | 75.2 Ų | 75.2 | 30% | 0.299 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 143.2 | 165.5 | -63.2 | -29.7 | 0 | 0 | 0 | 109.5 | E49 I57 | E49-D51 PolarHBondContact O-N 2.85Å; D51-I57 HydrophobicContact CB-CD1 3.8Å; D51-I57 WeakPolarHBondContact OD2-CD1 3.23Å |
| 52 | A | 52.2 | Low | 62.3 | Low | 32 Ų | 32 | 69.2 Ų | 69.2 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 154.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N54 | A52-N54 PolarHBondContact O-N 3.45Š|
| 53 | P | 59.4 | Low | 64 | Low | 58 Ų | 58 | 68.6 Ų | 68.6 | 38% | 0.377 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 117.7 | 177.6 | 22 | -33.1 | 0 | 0 | 0 | 110.5 | Q82 | P53-Q82 WeakPolarHBondContact CB-O 3.31Š|
| 54 | N | 67.7 | Low | 65.8 | Low | 51 Ų | 51 | 68 Ų | 68 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | trans | -138.6 | 117.9 | -176.9 | -169.9 | -8.9 | 0 | 0 | 0 | 109.1 | A52 S56 I57 C58 G80 | A52-N54 PolarHBondContact O-N 3.45Å; N54-S56 VanDerWaalsContact CG-OG 3.22Å; N54-S56 PolarHBondContact ND2-OG 3.37Å; N54-S56 PolarHBondContact O-N 2.75Å; N54-S56 PolarHBondContact OD1-N 3.44Å; N54-S56 PolarHBondContact OD1-OG 3.41Å; N54-I57 HydrophobicContact CB-CB 4.28Å; N54-I57 HydrophobicContact CB-CD1 3.84Å; N54-I57 HydrophobicContact CB-CG1 3.93Å; N54-I57 PolarHBondContact O-N 2.74Å; N54-C58 WeakPolarHBondContact O-CB 3.3Å; N54-C58 PolarHBondContact O-N 2.74Å; N54-G80 CarbonylContact C-O 3.54Å; N54-G80 PolarHBondContact N-O 2.74Å; N54-G80 VanDerWaalsContact N-O 3.13Å; N54-G80 VanDerWaalsContact O-O 3.13Å | ||
| 55 | S | 71 | Confident | 67.3 | Low | 31 Ų | 31 | 66.1 Ų | 66.1 | 22% | 0.217 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.3 | -28.6 | -177.7 | 59 | 0 | 0 | 0 | 0 | 112.3 | R59 | S55-R59 WeakPolarHBondContact O-CB 3.05Å; S55-R59 PolarHBondContact O-N 2.75Å |
| 56 | S | 72.3 | Confident | 68.6 | Low | 25 Ų | 25 | 69.6 Ų | 69.6 | 18% | 0.175 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.5 | -49.7 | 178.3 | 64.2 | 0 | 0 | 0 | 0 | 113.1 | N54 C58 R59 R60 E898 | N54-S56 VanDerWaalsContact CG-OG 3.22Å; N54-S56 PolarHBondContact ND2-OG 3.37Å; N54-S56 PolarHBondContact O-N 2.75Å; N54-S56 PolarHBondContact OD1-N 3.44Å; N54-S56 PolarHBondContact OD1-OG 3.41Å; S56-C58 VanDerWaalsContact C-N 3.29Å; S56-C58 PolarHBondContact O-N 3.17Å; S56-R59 PolarHBondContact O-N 3.22Å; S56-R60 PolarHBondContact O-N 2.83Å; S56-E898 VanDerWaalsContact CA-CD 3.47Å; S56-E898 WeakPolarHBondContact CA-OE1 3.19Å; S56-E898 WeakPolarHBondContact CB-OE1 3.33Å; S56-E898 WeakPolarHBondContact CB-OE2 3.39Å |
| 57 | I | 77.7 | Confident | 70.3 | Confident | 49 Ų | 49 | 71.2 Ų | 71.2 | 25% | 0.251 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 177.2 | -55.5 | 179.1 | 0 | 0 | 0 | 109.4 | D51 N54 R59 R60 M61 F78 | D51-I57 HydrophobicContact CB-CD1 3.8Å; D51-I57 WeakPolarHBondContact OD2-CD1 3.23Å; N54-I57 HydrophobicContact CB-CB 4.28Å; N54-I57 HydrophobicContact CB-CD1 3.84Å; N54-I57 HydrophobicContact CB-CG1 3.93Å; N54-I57 PolarHBondContact O-N 2.74Å; I57-R59 PolarHBondContact O-N 3.42Å; I57-R60 PolarHBondContact O-N 3.35Å; I57-M61 WeakPolarHBondContact O-CB 3.33Å; I57-M61 PolarHBondContact O-N 2.94Å; I57-F78 HydrophobicContact CG2-CE1 3.88Å; I57-F78 HydrophobicContact CG2-CZ 3.74Å |
| 58 | C | 82.8 | Confident | 72.2 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.6 | -48.7 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | N54 S56 M61 F62 G80 C81 | N54-C58 WeakPolarHBondContact O-CB 3.3Å; N54-C58 PolarHBondContact O-N 2.74Å; S56-C58 VanDerWaalsContact C-N 3.29Å; S56-C58 PolarHBondContact O-N 3.17Å; C58-M61 WeakPolarHBondContact O-CB 3.34Å; C58-M61 PolarHBondContact O-N 3.17Å; C58-F62 VanDerWaalsContact O-CD2 3.26Å; C58-F62 WeakPolarHBondContact O-CD2 3.36Å; C58-F62 PolarHBondContact O-N 3.4Å; C58-F62 WeakPolarHBondContact SG-CE2 3.3Å; C58-G80 WeakPolarHBondContact CB-O 3.16Å; C58-C81 WeakPolarHBondContact CA-SG 2.95Å; C58-C81 HydrophobicContact CB-CB 4.04Å; C58-C81 WeakPolarHBondContact CB-SG 3.24Å; C58-C81 WeakPolarHBondContact SG-CA 3.31Å; C58-C81 WeakPolarHBondContact SG-CB 3.28Å; C58-C81 CovalentContact SG-SG 2.04Å; C58-C81 PolarHBondContact SG-SG 3.44Å |
| 59 | R | 81.9 | Confident | 73.9 | Confident | 28 Ų | 28 | 71.9 Ų | 71.9 | 11% | 0.106 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.3 | -46 | 178.8 | -178.3 | 177 | -61.8 | 174.6 | -3.1 | 112.8 | S55 S56 I57 M61 F62 S63 I896 S897 L901 | S55-R59 WeakPolarHBondContact O-CB 3.05Å; S55-R59 PolarHBondContact O-N 2.75Å; S56-R59 PolarHBondContact O-N 3.22Å; I57-R59 PolarHBondContact O-N 3.42Å; R59-M61 PolarHBondContact O-N 3.49Å; R59-F62 CarbonylContact O-C 3.55Å; R59-F62 PolarHBondContact O-N 2.83Å; R59-F62 VanDerWaalsContact O-N 3.09Å; R59-S63 PolarHBondContact O-N 2.78Å; R59-S63 PolarHBondContact O-OG 3.42Å; R59-I896 PolarHBondContact NH1-O 2.81Å; R59-I896 PolarHBondContact NH2-O 3.42Å; R59-S897 VanDerWaalsContact NH1-C 3.28Å; R59-L901 VanDerWaalsContact NH2-CD2 3.35Å |
| 60 | R | 81.8 | Confident | 75.9 | Confident | 186 Ų | 186 | 66.7 Ų | 66.7 | 70% | 0.702 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.9 | -39.7 | 177.6 | -166.7 | 176.9 | -159.2 | 147.6 | 5.1 | 111.2 | S56 I57 S63 N64 | S56-R60 PolarHBondContact O-N 2.83Å; I57-R60 PolarHBondContact O-N 3.35Å; R60-S63 WeakPolarHBondContact CA-OG 3.46Å; R60-S63 PolarHBondContact O-N 3.21Å; R60-S63 PolarHBondContact O-OG 2.99Å; R60-N64 VanDerWaalsContact O-CG 3.32Å; R60-N64 PolarHBondContact O-N 3.18Å; R60-N64 PolarHBondContact O-OD1 2.98Å |
| 61 | M | 83.4 | Confident | 77.8 | Confident | 28 Ų | 28 | 65.1 Ų | 65.1 | 14% | 0.138 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 175.4 | -164.2 | 59.7 | 177.3 | 0 | 0 | 111.8 | F45 I48 I57 C58 R59 S63 N64 F65 I74 F78 | F45-M61 HydrophobicContact CE1-CE 3.97Å; I48-M61 HydrophobicContact CD1-CE 4.49Å; I57-M61 WeakPolarHBondContact O-CB 3.33Å; I57-M61 PolarHBondContact O-N 2.94Å; C58-M61 WeakPolarHBondContact O-CB 3.34Å; C58-M61 PolarHBondContact O-N 3.17Å; R59-M61 PolarHBondContact O-N 3.49Å; M61-S63 VanDerWaalsContact C-N 3.32Å; M61-S63 PolarHBondContact O-N 3.32Å; M61-N64 PolarHBondContact O-N 3.46Å; M61-F65 HydrophobicContact CE-CD2 4.25Å; M61-F65 HydrophobicContact CE-CE2 3.58Å; M61-F65 HydrophobicContact CE-CZ 4.44Å; M61-F65 HydrophobicContact SD-CD2 4.44Å; M61-F65 HydrophobicContact SD-CE2 3.97Å; M61-I74 HydrophobicContact CE-CD1 4.44Å; M61-I74 HydrophobicContact CG-CD1 4.07Å; M61-I74 HydrophobicContact CG-CG1 4.37Å; M61-I74 HydrophobicContact CG-CG2 4.05Å; M61-F78 HydrophobicContact CB-CE1 4.25Å; M61-F78 HydrophobicContact CB-CZ 4.4Å; M61-F78 HydrophobicContact CG-CD2 4.41Å; M61-F78 HydrophobicContact CG-CE1 4.5Å; M61-F78 HydrophobicContact CG-CE2 4.35Å; M61-F78 HydrophobicContact CG-CZ 4.39Å |
| 62 | F | 85.2 | Confident | 79.8 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.2 | -31.8 | 174.5 | -85.5 | -69.5 | 0 | 0 | 0 | 113.8 | C58 R59 N64 R71 I74 A75 C81 L91 Y95 I892 | C58-F62 VanDerWaalsContact O-CD2 3.26Å; C58-F62 WeakPolarHBondContact O-CD2 3.36Å; C58-F62 PolarHBondContact O-N 3.4Å; C58-F62 WeakPolarHBondContact SG-CE2 3.3Å; R59-F62 CarbonylContact O-C 3.55Å; R59-F62 PolarHBondContact O-N 2.83Å; R59-F62 VanDerWaalsContact O-N 3.09Å; F62-N64 VanDerWaalsContact C-N 3.32Å; F62-R71 HydrophobicContact CD1-CB 4.19Å; F62-R71 HydrophobicContact CD1-CG 3.88Å; F62-R71 HydrophobicContact CE1-CB 3.88Å; F62-R71 HydrophobicContact CE1-CG 4.11Å; F62-R71 WeakPolarHBondContact CE1-O 3.44Å; F62-R71 PolarHBondContact O-NH2 2.78Å; F62-I74 HydrophobicContact CE1-CG2 4.36Å; F62-I74 HydrophobicContact CE2-CG2 4.2Å; F62-I74 HydrophobicContact CZ-CG2 4.09Å; F62-A75 HydrophobicContact CZ-CB 4.05Å; F62-C81 WeakPolarHBondContact CE2-SG 3.49Å; F62-L91 HydrophobicContact CE2-CD1 4.29Å; F62-L91 HydrophobicContact CE2-CD2 4.01Å; F62-L91 HydrophobicContact CZ-CD2 4.27Å; F62-Y95 HydrophobicContact CD1-CE2 4.2Å; F62-Y95 HydrophobicContact CE1-CD1 4.39Å; F62-Y95 AromaticContact CE1-CD2 3.76Å; F62-Y95 HydrophobicContact CE1-CD2 3.76Å; F62-Y95 HydrophobicContact CE1-CE1 4.25Å; F62-Y95 AromaticContact CE1-CE2 3.6Å; F62-Y95 HydrophobicContact CE1-CE2 3.6Å; F62-Y95 HydrophobicContact CE1-CG 4.16Å; F62-Y95 AromaticContact CE1-CZ 3.86Å; F62-Y95 HydrophobicContact CE2-CE2 4.35Å; F62-Y95 AromaticContact CZ-CD2 3.79Å; F62-Y95 HydrophobicContact CZ-CD2 3.79Å; F62-Y95 AromaticContact CZ-CE2 3.7Å; F62-Y95 HydrophobicContact CZ-CE2 3.7Å; F62-I892 HydrophobicContact CD2-CG2 4.07Å |
| 63 | S | 84.1 | Confident | 81.4 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 52% | 0.517 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.4 | -27.1 | 177 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | R59 R60 M61 | R59-S63 PolarHBondContact O-N 2.78Å; R59-S63 PolarHBondContact O-OG 3.42Å; R60-S63 WeakPolarHBondContact CA-OG 3.46Å; R60-S63 PolarHBondContact O-N 3.21Å; R60-S63 PolarHBondContact O-OG 2.99Å; M61-S63 VanDerWaalsContact C-N 3.32Å; M61-S63 PolarHBondContact O-N 3.32Å |
| 64 | N | 85.4 | Confident | 82.8 | Confident | 110 Ų | 110 | 61 Ų | 61 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -74.6 | -25.6 | -178.7 | -72.2 | -13 | 0 | 0 | 0 | 113.3 | R60 M61 F62 | R60-N64 VanDerWaalsContact O-CG 3.32Å; R60-N64 PolarHBondContact O-N 3.18Å; R60-N64 PolarHBondContact O-OD1 2.98Å; M61-N64 PolarHBondContact O-N 3.46Å; F62-N64 VanDerWaalsContact C-N 3.32Å |
| 65 | F | 86.3 | Confident | 83.6 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 34% | 0.338 | 31% | 0.305 | S | S | . | . | trans | -124.4 | 131.4 | -174.6 | -62.2 | -82.8 | 0 | 0 | 0 | 110.7 | M61 I70 R71 I74 | M61-F65 HydrophobicContact CE-CD2 4.25Å; M61-F65 HydrophobicContact CE-CE2 3.58Å; M61-F65 HydrophobicContact CE-CZ 4.44Å; M61-F65 HydrophobicContact SD-CD2 4.44Å; M61-F65 HydrophobicContact SD-CE2 3.97Å; F65-I70 HydrophobicContact CB-CG2 3.97Å; F65-I70 HydrophobicContact CD1-CD1 4.18Å; F65-I70 HydrophobicContact CD1-CG2 4.01Å; F65-I70 HydrophobicContact CD2-CG2 4.49Å; F65-I70 HydrophobicContact CG-CG2 3.9Å; F65-R71 PolarHBondContact O-NE 3.4Å; F65-R71 PolarHBondContact O-NH2 3.13Å; F65-I74 HydrophobicContact CB-CD1 4.33Å; F65-I74 HydrophobicContact CD2-CD1 3.89Å; F65-I74 HydrophobicContact CG-CD1 4.35Å | ||
| 66 | T | 84.2 | Confident | 84.3 | Confident | 113 Ų | 113 | 60.8 Ų | 60.8 | 69% | 0.693 | 31% | 0.309 | S | S | * | . | trans | -104.4 | -15.6 | 180 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 67 | E | 85 | Confident | 84.8 | Confident | 112 Ų | 112 | 64.1 Ų | 64.1 | 52% | 0.523 | 32% | 0.322 | S | S | . | . | trans | -69.1 | 130.8 | -177.7 | -65.5 | 178.4 | -165.8 | 0 | 0 | 111.9 | E69 I70 R71 | E67-E69 PolarHBondContact O-N 3.45Å; E67-I70 HydrophobicContact CB-CB 4.24Å; E67-I70 HydrophobicContact CB-CD1 4.1Å; E67-I70 HydrophobicContact CB-CG1 4.05Å; E67-I70 HydrophobicContact CG-CD1 4.41Å; E67-I70 PolarHBondContact O-N 3.47Å; E67-I70 WeakPolarHBondContact OE2-CD1 3.28Å; E67-R71 WeakPolarHBondContact O-CG 3.43Å; E67-R71 PolarHBondContact O-N 3.35Å | ||
| 68 | P | 84.8 | Confident | 85 | Confident | 99 Ų | 99 | 62 Ų | 62 | 64% | 0.643 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.3 | -38.7 | -175.1 | 25 | -33.4 | 0 | 0 | 0 | 112.8 | R71 C72 | P68-R71 PolarHBondContact O-N 3.19Å; P68-C72 PolarHBondContact O-N 3.27Å |
| 69 | E | 85.6 | Confident | 84.5 | Confident | 165 Ų | 165 | 64 Ų | 64 | 77% | 0.771 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 178.8 | -64.1 | -176.2 | -175.5 | 0 | 0 | 111.8 | E67 C72 L73 | E67-E69 PolarHBondContact O-N 3.45Å; E69-C72 PolarHBondContact O-N 2.88Å; E69-L73 PolarHBondContact O-N 3.31Å |
| 70 | I | 88.4 | Confident | 84 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.5 | -59.9 | -177 | 0 | 0 | 0 | 110.3 | F65 E67 C72 L73 I74 | F65-I70 HydrophobicContact CB-CG2 3.97Å; F65-I70 HydrophobicContact CD1-CD1 4.18Å; F65-I70 HydrophobicContact CD1-CG2 4.01Å; F65-I70 HydrophobicContact CD2-CG2 4.49Å; F65-I70 HydrophobicContact CG-CG2 3.9Å; E67-I70 HydrophobicContact CB-CB 4.24Å; E67-I70 HydrophobicContact CB-CD1 4.1Å; E67-I70 HydrophobicContact CB-CG1 4.05Å; E67-I70 HydrophobicContact CG-CD1 4.41Å; E67-I70 PolarHBondContact O-N 3.47Å; E67-I70 WeakPolarHBondContact OE2-CD1 3.28Å; I70-C72 VanDerWaalsContact C-N 3.35Å; I70-C72 PolarHBondContact O-N 3.35Å; I70-L73 WeakPolarHBondContact O-CB 3.48Å; I70-L73 PolarHBondContact O-N 3.37Å; I70-L73 VanDerWaalsContact O-N 3.11Å; I70-I74 HydrophobicContact CG2-CD1 3.8Å; I70-I74 HydrophobicContact CG2-CG1 4.26Å; I70-I74 VanDerWaalsContact O-CG1 3.29Å; I70-I74 WeakPolarHBondContact O-CG1 3.21Å; I70-I74 PolarHBondContact O-N 3.34Å |
| 71 | R | 87.8 | Confident | 83.9 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 6% | 0.064 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 176.8 | -75.8 | -172.7 | 171.8 | -163.2 | -3.9 | 112.5 | F62 F65 E67 P68 L73 I74 A75 Y95 | F62-R71 HydrophobicContact CD1-CB 4.19Å; F62-R71 HydrophobicContact CD1-CG 3.88Å; F62-R71 HydrophobicContact CE1-CB 3.88Å; F62-R71 HydrophobicContact CE1-CG 4.11Å; F62-R71 WeakPolarHBondContact CE1-O 3.44Å; F62-R71 PolarHBondContact O-NH2 2.78Å; F65-R71 PolarHBondContact O-NE 3.4Å; F65-R71 PolarHBondContact O-NH2 3.13Å; E67-R71 WeakPolarHBondContact O-CG 3.43Å; E67-R71 PolarHBondContact O-N 3.35Å; P68-R71 PolarHBondContact O-N 3.19Å; R71-L73 VanDerWaalsContact C-N 3.35Å; R71-I74 PolarHBondContact O-N 3.34Å; R71-A75 WeakPolarHBondContact O-CB 3.41Å; R71-A75 PolarHBondContact O-N 2.96Å; R71-Y95 HydrophobicContact CB-CD1 4.02Å; R71-Y95 HydrophobicContact CB-CE1 4.45Å |
| 72 | C | 88.3 | Confident | 83.5 | Confident | 21 Ų | 21 | 57 Ų | 57 | 14% | 0.142 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 172.6 | 173.3 | 0 | 0 | 0 | 0 | 112 | P68 E69 I70 A75 K76 C96 | P68-C72 PolarHBondContact O-N 3.27Å; E69-C72 PolarHBondContact O-N 2.88Å; I70-C72 VanDerWaalsContact C-N 3.35Å; I70-C72 PolarHBondContact O-N 3.35Å; C72-A75 PolarHBondContact O-N 2.99Å; C72-K76 PolarHBondContact O-N 2.94Å; C72-C96 WeakPolarHBondContact CA-SG 3.39Å; C72-C96 HydrophobicContact CB-CB 4.12Å; C72-C96 WeakPolarHBondContact CB-SG 3.23Å; C72-C96 PolarHBondContact O-SG 3.45Å; C72-C96 VanDerWaalsContact SG-CA 3.59Å; C72-C96 WeakPolarHBondContact SG-CB 3.23Å; C72-C96 CovalentContact SG-SG 2.04Å; C72-C96 PolarHBondContact SG-SG 3.23Å |
| 73 | L | 87.1 | Confident | 82.9 | Confident | 39 Ų | 39 | 58.6 Ų | 58.6 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.9 | -170.9 | 73.7 | 0 | 0 | 0 | 111.7 | V40 F45 E69 I70 R71 K76 H77 | V40-L73 HydrophobicContact CG1-CD1 4.39Å; V40-L73 HydrophobicContact CG2-CD1 4.3Å; F45-L73 HydrophobicContact CE2-CD2 3.88Å; F45-L73 HydrophobicContact CE2-CG 4.07Å; F45-L73 HydrophobicContact CZ-CD2 4.34Å; F45-L73 HydrophobicContact CZ-CG 4.49Å; E69-L73 PolarHBondContact O-N 3.31Å; I70-L73 WeakPolarHBondContact O-CB 3.48Å; I70-L73 PolarHBondContact O-N 3.37Å; I70-L73 VanDerWaalsContact O-N 3.11Å; R71-L73 VanDerWaalsContact C-N 3.35Å; L73-K76 PolarHBondContact O-N 3.36Å; L73-H77 PolarHBondContact O-N 3.4Å; L73-H77 PolarHBondContact O-ND1 2.97Å |
| 74 | I | 87.1 | Confident | 82 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -50.9 | 173.5 | -68.1 | 164.4 | 0 | 0 | 0 | 109.5 | F45 M61 F62 F65 I70 R71 K76 H77 F78 | F45-I74 HydrophobicContact CE1-CG1 4.3Å; F45-I74 HydrophobicContact CZ-CG1 4.12Å; M61-I74 HydrophobicContact CE-CD1 4.44Å; M61-I74 HydrophobicContact CG-CD1 4.07Å; M61-I74 HydrophobicContact CG-CG1 4.37Å; M61-I74 HydrophobicContact CG-CG2 4.05Å; F62-I74 HydrophobicContact CE1-CG2 4.36Å; F62-I74 HydrophobicContact CE2-CG2 4.2Å; F62-I74 HydrophobicContact CZ-CG2 4.09Å; F65-I74 HydrophobicContact CB-CD1 4.33Å; F65-I74 HydrophobicContact CD2-CD1 3.89Å; F65-I74 HydrophobicContact CG-CD1 4.35Å; I70-I74 HydrophobicContact CG2-CD1 3.8Å; I70-I74 HydrophobicContact CG2-CG1 4.26Å; I70-I74 VanDerWaalsContact O-CG1 3.29Å; I70-I74 WeakPolarHBondContact O-CG1 3.21Å; I70-I74 PolarHBondContact O-N 3.34Å; R71-I74 PolarHBondContact O-N 3.34Å; I74-K76 PolarHBondContact O-N 3.03Å; I74-K76 VanDerWaalsContact O-N 3.16Å; I74-H77 PolarHBondContact O-N 3.31Å; I74-F78 HydrophobicContact CB-CB 4.48Å; I74-F78 HydrophobicContact CG2-CB 3.79Å; I74-F78 HydrophobicContact CG2-CG 4.25Å; I74-F78 WeakPolarHBondContact O-CB 3.39Å; I74-F78 PolarHBondContact O-N 3.42Å |
| 75 | A | 86 | Confident | 81.2 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.4 | -35.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F62 R71 C72 L91 V92 Y95 | F62-A75 HydrophobicContact CZ-CB 4.05Å; R71-A75 WeakPolarHBondContact O-CB 3.41Å; R71-A75 PolarHBondContact O-N 2.96Å; C72-A75 PolarHBondContact O-N 2.99Å; A75-L91 HydrophobicContact CB-CB 4.21Å; A75-V92 HydrophobicContact CB-CG2 4.37Å; A75-Y95 HydrophobicContact CB-CD2 4.49Å |
| 76 | K | 84.9 | Confident | 80.4 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 32% | 0.317 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -81.7 | -42.3 | -179.7 | -76 | 175.6 | 173.2 | 168.3 | 0 | 113.9 | C72 L73 I74 Q82 V92 C96 | C72-K76 PolarHBondContact O-N 2.94Å; L73-K76 PolarHBondContact O-N 3.36Å; I74-K76 PolarHBondContact O-N 3.03Å; I74-K76 VanDerWaalsContact O-N 3.16Å; K76-Q82 PolarHBondContact O-NE2 2.81Å; K76-Q82 VanDerWaalsContact O-NE2 3.08Å; K76-V92 HydrophobicContact CG-CG1 4.23Å; K76-V92 HydrophobicContact CG-CG2 4Å; K76-C96 VanDerWaalsContact CE-SG 3.54Å |
| 77 | H | 82.3 | Confident | 80.1 | Confident | 94 Ų | 94 | 48.1 Ų | 48.1 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -115.7 | -17.6 | -164.3 | -60.9 | 93.5 | 0 | 0 | 0 | 114.9 | L73 I74 P79 | L73-H77 PolarHBondContact O-N 3.4Å; L73-H77 PolarHBondContact O-ND1 2.97Å; I74-H77 PolarHBondContact O-N 3.31Å; H77-P79 WeakPolarHBondContact O-CD 3.25Å |
| 78 | F | 81.6 | Confident | 80 | Confident | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.022 | 24% | 0.235 | C | C | . | . | trans | -75.1 | 118.6 | -177.6 | -172.8 | -107.4 | 0 | 0 | 0 | 110.2 | F45 I48 I57 M61 I74 G80 C81 | F45-F78 AromaticContact CD1-CD2 3.95Å; F45-F78 HydrophobicContact CD1-CD2 3.95Å; F45-F78 HydrophobicContact CE1-CD2 4.12Å; I48-F78 HydrophobicContact CD1-CE2 3.78Å; I48-F78 HydrophobicContact CG2-CE2 4.22Å; I57-F78 HydrophobicContact CG2-CE1 3.88Å; I57-F78 HydrophobicContact CG2-CZ 3.74Å; M61-F78 HydrophobicContact CB-CE1 4.25Å; M61-F78 HydrophobicContact CB-CZ 4.4Å; M61-F78 HydrophobicContact CG-CD2 4.41Å; M61-F78 HydrophobicContact CG-CE1 4.5Å; M61-F78 HydrophobicContact CG-CE2 4.35Å; M61-F78 HydrophobicContact CG-CZ 4.39Å; I74-F78 HydrophobicContact CB-CB 4.48Å; I74-F78 HydrophobicContact CG2-CB 3.79Å; I74-F78 HydrophobicContact CG2-CG 4.25Å; I74-F78 WeakPolarHBondContact O-CB 3.39Å; I74-F78 PolarHBondContact O-N 3.42Å; F78-G80 VanDerWaalsContact C-N 3.28Å; F78-G80 PolarHBondContact O-N 3.4Å; F78-C81 HydrophobicContact CB-CB 4.4Å; F78-C81 HydrophobicContact CD1-CB 4.16Å; F78-C81 PolarHBondContact O-N 2.91Å | ||
| 79 | P | 73.2 | Confident | 79.9 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 28% | 0.279 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -60.8 | -36.6 | -174 | 23.2 | -33.2 | 0 | 0 | 0 | 112.4 | H77 C81 Q82 | H77-P79 WeakPolarHBondContact O-CD 3.25Å; P79-C81 PolarHBondContact O-N 3.5Å; P79-C81 VanDerWaalsContact O-N 3.11Å; P79-Q82 PolarHBondContact O-N 2.84Å; P79-Q82 VanDerWaalsContact O-N 3.08Å |
| 80 | G | 71.6 | Confident | 80 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -61.4 | -21.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N54 C58 F78 | N54-G80 CarbonylContact C-O 3.54Å; N54-G80 PolarHBondContact N-O 2.74Å; N54-G80 VanDerWaalsContact N-O 3.13Å; N54-G80 VanDerWaalsContact O-O 3.13Å; C58-G80 WeakPolarHBondContact CB-O 3.16Å; F78-G80 VanDerWaalsContact C-N 3.28Å; F78-G80 PolarHBondContact O-N 3.4Å |
| 81 | C | 78.5 | Confident | 79.9 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -99.8 | 2.3 | 178.6 | -68.4 | 0 | 0 | 0 | 0 | 113.9 | C58 F62 F78 P79 F83 L91 | C58-C81 WeakPolarHBondContact CA-SG 2.95Å; C58-C81 HydrophobicContact CB-CB 4.04Å; C58-C81 WeakPolarHBondContact CB-SG 3.24Å; C58-C81 WeakPolarHBondContact SG-CA 3.31Å; C58-C81 WeakPolarHBondContact SG-CB 3.28Å; C58-C81 CovalentContact SG-SG 2.04Å; C58-C81 PolarHBondContact SG-SG 3.44Å; F62-C81 WeakPolarHBondContact CE2-SG 3.49Å; F78-C81 HydrophobicContact CB-CB 4.4Å; F78-C81 HydrophobicContact CD1-CB 4.16Å; F78-C81 PolarHBondContact O-N 2.91Å; P79-C81 PolarHBondContact O-N 3.5Å; P79-C81 VanDerWaalsContact O-N 3.11Å; C81-F83 PolarHBondContact O-N 3.45Å; C81-L91 HydrophobicContact CB-CD1 3.83Å; C81-L91 WeakPolarHBondContact O-CD1 3.07Å |
| 82 | Q | 75.5 | Confident | 79.8 | Confident | 87 Ų | 87 | 38 Ų | 38 | 41% | 0.407 | 19% | 0.19 | S | C | . | . | trans | -89 | 87.1 | 179.3 | -69.9 | -172.4 | -5.7 | 0 | 0 | 110.7 | P53 K76 P79 D84 | P53-Q82 WeakPolarHBondContact CB-O 3.31Å; K76-Q82 PolarHBondContact O-NE2 2.81Å; K76-Q82 VanDerWaalsContact O-NE2 3.08Å; P79-Q82 PolarHBondContact O-N 2.84Å; P79-Q82 VanDerWaalsContact O-N 3.08Å; Q82-D84 PolarHBondContact O-N 2.8Å | ||
| 83 | F | 72.5 | Confident | 79.8 | Confident | 40 Ų | 40 | 39.1 Ų | 39.1 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | trans | -66 | 99.4 | 174.7 | -59 | -62.5 | 0 | 0 | 0 | 110.8 | C81 S85 L91 E888 I892 | C81-F83 PolarHBondContact O-N 3.45Å; F83-S85 PolarHBondContact O-N 2.78Å; F83-L91 HydrophobicContact CD2-CD1 4.01Å; F83-L91 HydrophobicContact CD2-CG 4.5Å; F83-L91 HydrophobicContact CE2-CD1 3.41Å; F83-L91 VanDerWaalsContact CE2-CD1 3.41Å; F83-L91 HydrophobicContact CE2-CG 3.95Å; F83-L91 HydrophobicContact CZ-CD1 4.23Å; F83-E888 WeakPolarHBondContact CD1-OE2 3.29Å; F83-E888 WeakPolarHBondContact CE1-OE2 3.27Å; F83-E888 HydrophobicContact CZ-CB 4.34Å; F83-I892 HydrophobicContact CE2-CD1 4.35Å; F83-I892 HydrophobicContact CZ-CD1 3.9Å | ||
| 84 | D | 65.8 | Low | 79.8 | Confident | 51 Ų | 51 | 37.4 Ų | 37.4 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -8.7 | -171 | -79.5 | -32.9 | 0 | 0 | 0 | 115.5 | Q82 N815 G816 | Q82-D84 PolarHBondContact O-N 2.8Å; D84-N815 PolarHBondContact O-N 3.45Å; D84-N815 WeakPolarHBondContact OD1-CA 3.15Å; D84-G816 PolarHBondContact O-N 3.33Å |
| 85 | S | 68.3 | Low | 79.8 | Confident | 28 Ų | 28 | 38.7 Ų | 38.7 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -15.2 | -169.2 | 72.4 | 0 | 0 | 0 | 0 | 114.5 | F83 T813 H881 N885 | F83-S85 PolarHBondContact O-N 2.78Å; S85-T813 PolarHBondContact O-OG1 3.4Å; S85-H881 WeakPolarHBondContact CB-ND1 3.34Å; S85-H881 PolarHBondContact OG-ND1 3.25Å; S85-N885 PolarHBondContact OG-ND2 3.4Å; S85-N885 PolarHBondContact OG-OD1 2.76Å |
| 86 | G | 70.2 | Confident | 79.8 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | trans | -95.6 | 156.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E882 N885 | G86-E882 WeakPolarHBondContact CA-OE1 3.42Å; G86-N885 WeakPolarHBondContact CA-ND2 2.97Å; G86-N885 PolarHBondContact N-ND2 3.07Å | ||
| 87 | F | 78.1 | Confident | 79.8 | Confident | 71 Ų | 71 | 41.1 Ų | 41.1 | 31% | 0.311 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -73.1 | -34.4 | 163.7 | -56.4 | -80.7 | 0 | 0 | 0 | 111.4 | L811 T813 A878 E882 | F87-L811 HydrophobicContact CZ-CD2 4.21Å; F87-L811 VanDerWaalsContact CZ-O 3.3Å; F87-L811 WeakPolarHBondContact CZ-O 3.43Å; F87-T813 HydrophobicContact CD1-CG2 3.58Å; F87-T813 HydrophobicContact CD2-CG2 4.46Å; F87-T813 HydrophobicContact CE1-CG2 3.42Å; F87-T813 VanDerWaalsContact CE1-CG2 3.42Å; F87-T813 HydrophobicContact CE2-CG2 4.3Å; F87-T813 HydrophobicContact CG-CG2 4.12Å; F87-T813 HydrophobicContact CZ-CG2 3.81Å; F87-A878 HydrophobicContact CE2-CB 3.91Å; F87-A878 HydrophobicContact CZ-CB 4.26Å; F87-E882 HydrophobicContact CD2-CG 3.95Å; F87-E882 VanDerWaalsContact CD2-OE1 3.24Å; F87-E882 WeakPolarHBondContact CD2-OE1 3.39Å; F87-E882 PolarHBondContact N-OE1 3.46Å |
| 88 | F | 81.4 | Confident | 79.7 | Confident | 66 Ų | 66 | 41 Ų | 41 | 29% | 0.289 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -105.3 | 129.8 | -175.2 | -66.8 | -102.5 | 0 | 0 | 0 | 112.1 | F27 Y90 W111 E882 | F27-F88 HydrophobicContact CD1-CE1 4.23Å; F27-F88 AromaticContact CD1-CZ 3.86Å; F27-F88 HydrophobicContact CD1-CZ 3.86Å; F27-F88 AromaticContact CE1-CD1 3.88Å; F27-F88 HydrophobicContact CE1-CD1 3.88Å; F27-F88 AromaticContact CE1-CE1 3.11Å; F27-F88 HydrophobicContact CE1-CE1 3.11Å; F27-F88 AromaticContact CE1-CE2 3.97Å; F27-F88 HydrophobicContact CE1-CE2 3.97Å; F27-F88 AromaticContact CE1-CZ 3.12Å; F27-F88 HydrophobicContact CE1-CZ 3.12Å; F27-F88 AromaticContact CE2-CE1 3.9Å; F27-F88 HydrophobicContact CE2-CE1 3.9Å; F27-F88 HydrophobicContact CE2-CZ 4.2Å; F27-F88 AromaticContact CZ-CD1 3.79Å; F27-F88 HydrophobicContact CZ-CD1 3.79Å; F27-F88 AromaticContact CZ-CE1 2.93Å; F27-F88 HydrophobicContact CZ-CE1 2.93Å; F27-F88 AromaticContact CZ-CZ 3.38Å; F27-F88 HydrophobicContact CZ-CZ 3.38Å; F88-Y90 HydrophobicContact CB-CD1 4.23Å; F88-Y90 HydrophobicContact CB-CD2 4.45Å; F88-Y90 HydrophobicContact CB-CE1 3.84Å; F88-Y90 HydrophobicContact CB-CE2 3.99Å; F88-Y90 WeakPolarHBondContact O-CD2 3.28Å; F88-Y90 PolarHBondContact O-N 2.97Å; F88-Y90 VanDerWaalsContact O-N 3.12Å; F88-W111 AromaticContact CE2-CZ2 3.96Å; F88-W111 HydrophobicContact CE2-CZ2 3.96Å; F88-W111 HydrophobicContact CZ-CH2 4.34Å; F88-W111 AromaticContact CZ-CZ2 3.99Å; F88-W111 HydrophobicContact CZ-CZ2 3.99Å; F88-E882 WeakPolarHBondContact CD2-OE2 3.36Å |
| 89 | Q | 83.5 | Confident | 79.6 | Confident | 133 Ų | 133 | 49 Ų | 49 | 62% | 0.621 | 25% | 0.247 | S | C | * | . | trans | -84 | 82.3 | 173.1 | -67.3 | -178 | -3.4 | 0 | 0 | 110.7 | L91 V92 F93 | Q89-L91 PolarHBondContact O-N 2.79Å; Q89-V92 HydrophobicContact CB-CB 4.07Å; Q89-V92 HydrophobicContact CB-CG2 4.08Å; Q89-V92 PolarHBondContact O-N 2.86Å; Q89-F93 PolarHBondContact O-N 3.06Å | ||
| 90 | Y | 87.1 | Confident | 80 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.5 | -38.4 | -174.7 | -65.4 | -64.7 | 0 | 0 | 0 | 114.2 | F88 F93 Q94 M108 W111 E882 N885 S886 T889 | F88-Y90 HydrophobicContact CB-CD1 4.23Å; F88-Y90 HydrophobicContact CB-CD2 4.45Å; F88-Y90 HydrophobicContact CB-CE1 3.84Å; F88-Y90 HydrophobicContact CB-CE2 3.99Å; F88-Y90 WeakPolarHBondContact O-CD2 3.28Å; F88-Y90 PolarHBondContact O-N 2.97Å; F88-Y90 VanDerWaalsContact O-N 3.12Å; Y90-F93 PolarHBondContact O-N 3.41Å; Y90-Q94 VanDerWaalsContact O-CB 3.24Å; Y90-Q94 WeakPolarHBondContact O-CB 3.42Å; Y90-Q94 PolarHBondContact O-N 3.34Å; Y90-M108 HydrophobicContact CD1-CE 3.18Å; Y90-M108 HydrophobicContact CD1-SD 3.25Å; Y90-M108 WeakPolarHBondContact CD1-SD 3.31Å; Y90-M108 HydrophobicContact CE1-CE 3.6Å; Y90-M108 HydrophobicContact CE1-SD 3.61Å; Y90-M108 HydrophobicContact CG-CE 3.72Å; Y90-M108 HydrophobicContact CG-SD 4.28Å; Y90-W111 AromaticContact CE1-CD1 3.92Å; Y90-W111 AromaticContact CE1-NE1 3.95Å; Y90-W111 AromaticContact CZ-NE1 3.95Å; Y90-W111 PolarHBondContact OH-NE1 3.24Å; Y90-E882 WeakPolarHBondContact CE2-OE2 3.49Å; Y90-E882 VanDerWaalsContact CZ-OE2 3.23Å; Y90-E882 PolarHBondContact OH-OE2 3.07Å; Y90-N885 HydrophobicContact CD2-CB 3.79Å; Y90-N885 HydrophobicContact CE2-CB 3.86Å; Y90-S886 WeakPolarHBondContact CE1-OG 3.25Å; Y90-S886 WeakPolarHBondContact CE2-OG 3.34Å; Y90-S886 PolarHBondContact OH-OG 3.46Å; Y90-T889 VanDerWaalsContact CB-OG1 3.29Å; Y90-T889 WeakPolarHBondContact CB-OG1 3.14Å |
| 91 | L | 87.5 | Confident | 80.4 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 175.7 | -76.1 | 171.1 | 0 | 0 | 0 | 112.4 | F62 A75 C81 F83 Q89 Q94 Y95 T889 I892 | F62-L91 HydrophobicContact CE2-CD1 4.29Å; F62-L91 HydrophobicContact CE2-CD2 4.01Å; F62-L91 HydrophobicContact CZ-CD2 4.27Å; A75-L91 HydrophobicContact CB-CB 4.21Å; C81-L91 HydrophobicContact CB-CD1 3.83Å; C81-L91 WeakPolarHBondContact O-CD1 3.07Å; F83-L91 HydrophobicContact CD2-CD1 4.01Å; F83-L91 HydrophobicContact CD2-CG 4.5Å; F83-L91 HydrophobicContact CE2-CD1 3.41Å; F83-L91 VanDerWaalsContact CE2-CD1 3.41Å; F83-L91 HydrophobicContact CE2-CG 3.95Å; F83-L91 HydrophobicContact CZ-CD1 4.23Å; Q89-L91 PolarHBondContact O-N 2.79Å; L91-Q94 PolarHBondContact O-N 3.48Å; L91-Y95 HydrophobicContact CD2-CD2 4.17Å; L91-Y95 HydrophobicContact CD2-CE2 3.81Å; L91-Y95 WeakPolarHBondContact O-CB 3.33Å; L91-Y95 WeakPolarHBondContact O-CD2 3.21Å; L91-Y95 PolarHBondContact O-N 3.35Å; L91-T889 HydrophobicContact CD2-CG2 3.98Å; L91-T889 HydrophobicContact CG-CG2 4.23Å; L91-I892 HydrophobicContact CD2-CD1 4.33Å; L91-I892 HydrophobicContact CD2-CG2 4.41Å |
| 92 | V | 86 | Confident | 80.9 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 11% | 0.109 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 177.1 | 178.1 | 0 | 0 | 0 | 0 | 110 | A75 K76 Q89 Q94 Y95 C96 | A75-V92 HydrophobicContact CB-CG2 4.37Å; K76-V92 HydrophobicContact CG-CG1 4.23Å; K76-V92 HydrophobicContact CG-CG2 4Å; Q89-V92 HydrophobicContact CB-CB 4.07Å; Q89-V92 HydrophobicContact CB-CG2 4.08Å; Q89-V92 PolarHBondContact O-N 2.86Å; V92-Q94 PolarHBondContact O-N 3.2Å; V92-Y95 PolarHBondContact O-N 3.28Å; V92-C96 HydrophobicContact CG1-CB 3.96Å; V92-C96 WeakPolarHBondContact O-CA 3.42Å; V92-C96 WeakPolarHBondContact O-CB 3.44Å; V92-C96 PolarHBondContact O-N 3.06Å |
| 93 | F | 87.3 | Confident | 81.4 | Confident | 44 Ų | 44 | 64.1 Ų | 64.1 | 19% | 0.193 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.5 | -41 | 174.5 | 179 | -101.1 | 0 | 0 | 0 | 112.2 | Q89 Y90 F98 P104 F107 M108 | Q89-F93 PolarHBondContact O-N 3.06Å; Y90-F93 PolarHBondContact O-N 3.41Å; F93-F98 HydrophobicContact CD2-CE2 4.42Å; F93-F98 HydrophobicContact CE1-CE2 4.47Å; F93-F98 AromaticContact CE2-CE2 3.67Å; F93-F98 HydrophobicContact CE2-CE2 3.67Å; F93-F98 HydrophobicContact CZ-CD2 4.49Å; F93-F98 AromaticContact CZ-CE2 3.69Å; F93-F98 HydrophobicContact CZ-CE2 3.69Å; F93-F98 HydrophobicContact CZ-CZ 4.48Å; F93-P104 HydrophobicContact CD1-CB 4.07Å; F93-P104 HydrophobicContact CE1-CB 3.67Å; F93-P104 HydrophobicContact CZ-CB 4.35Å; F93-F107 HydrophobicContact CE1-CB 4.37Å; F93-F107 AromaticContact CE1-CD1 3.59Å; F93-F107 HydrophobicContact CE1-CD1 3.59Å; F93-F107 HydrophobicContact CE1-CE1 4.33Å; F93-F107 HydrophobicContact CE1-CG 4.32Å; F93-F107 HydrophobicContact CE2-CD1 4.34Å; F93-F107 HydrophobicContact CE2-CE1 4.46Å; F93-F107 HydrophobicContact CZ-CB 4.29Å; F93-F107 AromaticContact CZ-CD1 3.35Å; F93-F107 HydrophobicContact CZ-CD1 3.35Å; F93-F107 AromaticContact CZ-CE1 3.85Å; F93-F107 HydrophobicContact CZ-CE1 3.85Å; F93-F107 AromaticContact CZ-CG 3.96Å; F93-F107 HydrophobicContact CZ-CG 3.96Å; F93-M108 HydrophobicContact CD1-CG 4.22Å; F93-M108 HydrophobicContact CD1-SD 4.38Å; F93-M108 HydrophobicContact CE1-CG 4.2Å |
| 94 | Q | 87.2 | Confident | 82.1 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.009 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.8 | -38.2 | -177.5 | -176.9 | 65.7 | 13.8 | 0 | 0 | 114.1 | Y90 L91 V92 V893 | Y90-Q94 VanDerWaalsContact O-CB 3.24Å; Y90-Q94 WeakPolarHBondContact O-CB 3.42Å; Y90-Q94 PolarHBondContact O-N 3.34Å; L91-Q94 PolarHBondContact O-N 3.48Å; V92-Q94 PolarHBondContact O-N 3.2Å; Q94-V893 HydrophobicContact CG-CG2 3.54Å |
| 95 | Y | 86.8 | Confident | 83.3 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -106.2 | -16.2 | -172.2 | -72.4 | -71.6 | 0 | 0 | 0 | 114.9 | F62 R71 A75 L91 V92 | F62-Y95 HydrophobicContact CD1-CE2 4.2Å; F62-Y95 HydrophobicContact CE1-CD1 4.39Å; F62-Y95 AromaticContact CE1-CD2 3.76Å; F62-Y95 HydrophobicContact CE1-CD2 3.76Å; F62-Y95 HydrophobicContact CE1-CE1 4.25Å; F62-Y95 AromaticContact CE1-CE2 3.6Å; F62-Y95 HydrophobicContact CE1-CE2 3.6Å; F62-Y95 HydrophobicContact CE1-CG 4.16Å; F62-Y95 AromaticContact CE1-CZ 3.86Å; F62-Y95 HydrophobicContact CE2-CE2 4.35Å; F62-Y95 AromaticContact CZ-CD2 3.79Å; F62-Y95 HydrophobicContact CZ-CD2 3.79Å; F62-Y95 AromaticContact CZ-CE2 3.7Å; F62-Y95 HydrophobicContact CZ-CE2 3.7Å; R71-Y95 HydrophobicContact CB-CD1 4.02Å; R71-Y95 HydrophobicContact CB-CE1 4.45Å; A75-Y95 HydrophobicContact CB-CD2 4.49Å; L91-Y95 HydrophobicContact CD2-CD2 4.17Å; L91-Y95 HydrophobicContact CD2-CE2 3.81Å; L91-Y95 WeakPolarHBondContact O-CB 3.33Å; L91-Y95 WeakPolarHBondContact O-CD2 3.21Å; L91-Y95 PolarHBondContact O-N 3.35Å; V92-Y95 PolarHBondContact O-N 3.28Å |
| 96 | C | 87.1 | Confident | 84.3 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -117.3 | -23 | -172.5 | -62.1 | 0 | 0 | 0 | 0 | 115.3 | C72 K76 V92 | C72-C96 WeakPolarHBondContact CA-SG 3.39Å; C72-C96 HydrophobicContact CB-CB 4.12Å; C72-C96 WeakPolarHBondContact CB-SG 3.23Å; C72-C96 PolarHBondContact O-SG 3.45Å; C72-C96 VanDerWaalsContact SG-CA 3.59Å; C72-C96 WeakPolarHBondContact SG-CB 3.23Å; C72-C96 CovalentContact SG-SG 2.04Å; C72-C96 PolarHBondContact SG-SG 3.23Å; K76-C96 VanDerWaalsContact CE-SG 3.54Å; V92-C96 HydrophobicContact CG1-CB 3.96Å; V92-C96 WeakPolarHBondContact O-CA 3.42Å; V92-C96 WeakPolarHBondContact O-CB 3.44Å; V92-C96 PolarHBondContact O-N 3.06Å |
| 97 | N | 83.7 | Confident | 85.2 | Confident | 94 Ų | 94 | 68.6 Ų | 68.6 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -94.4 | -23.1 | -171.5 | -71.7 | 31.2 | 0 | 0 | 0 | 113.5 | ||
| 98 | F | 80.9 | Confident | 85.8 | Confident | 93 Ų | 93 | 65.3 Ų | 65.3 | 41% | 0.408 | 33% | 0.326 | S | S | . | . | trans | -132.1 | 137.6 | -177.7 | -64.9 | -90 | 0 | 0 | 0 | 110 | F93 A103 P104 | F93-F98 HydrophobicContact CD2-CE2 4.42Å; F93-F98 HydrophobicContact CE1-CE2 4.47Å; F93-F98 AromaticContact CE2-CE2 3.67Å; F93-F98 HydrophobicContact CE2-CE2 3.67Å; F93-F98 HydrophobicContact CZ-CD2 4.49Å; F93-F98 AromaticContact CZ-CE2 3.69Å; F93-F98 HydrophobicContact CZ-CE2 3.69Å; F93-F98 HydrophobicContact CZ-CZ 4.48Å; F98-A103 HydrophobicContact CD1-CB 4.44Å; F98-P104 HydrophobicContact CB-CG 4.11Å; F98-P104 HydrophobicContact CD2-CB 3.85Å; F98-P104 HydrophobicContact CD2-CG 4.2Å; F98-P104 HydrophobicContact CE2-CB 4.38Å; F98-P104 HydrophobicContact CG-CB 4.45Å; F98-P104 HydrophobicContact CG-CG 4.36Å | ||
| 99 | D | 78.3 | Confident | 86.2 | Confident | 172 Ų | 172 | 65.3 Ų | 65.3 | 92% | 0.92 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -68.3 | -38.9 | 175.6 | -62 | -34.8 | 0 | 0 | 0 | 111.2 | ||
| 100 | E | 82.6 | Confident | 86.5 | Confident | 137 Ų | 137 | 63.4 Ų | 63.4 | 64% | 0.64 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -96.6 | 132.2 | 179.8 | -72.9 | -64.2 | 167.5 | 0 | 0 | 112.1 | I102 P104 | E100-I102 PolarHBondContact O-N 2.95Å; E100-P104 WeakPolarHBondContact O-CD 3.35Å |
| 101 | R | 80.4 | Confident | 86.6 | Confident | 140 Ų | 140 | 66.1 Ų | 66.1 | 53% | 0.528 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -76.4 | -18.4 | -174.5 | -72.2 | 179.6 | -91.6 | -174.7 | -8.2 | 114.5 | P104 T105 | R101-P104 WeakPolarHBondContact O-CD 3.3Å; R101-P104 WeakPolarHBondContact O-CG 3.38Å; R101-T105 WeakPolarHBondContact O-CG2 3.33Å; R101-T105 PolarHBondContact O-N 2.75Å; R101-T105 PolarHBondContact O-OG1 3.17Å |
| 102 | I | 87.8 | Confident | 86.8 | Confident | 125 Ų | 125 | 67.2 Ų | 67.2 | 64% | 0.641 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -73.4 | -41.8 | -175 | -57.8 | 170.8 | 0 | 0 | 0 | 111 | E100 T105 V106 | E100-I102 PolarHBondContact O-N 2.95Å; I102-T105 WeakPolarHBondContact CA-OG1 3.24Å; I102-T105 PolarHBondContact O-N 2.92Å; I102-T105 PolarHBondContact O-OG1 3.47Å; I102-V106 HydrophobicContact CG2-CG2 4.29Å; I102-V106 VanDerWaalsContact O-CG2 3.29Å; I102-V106 WeakPolarHBondContact O-CG2 3.25Å; I102-V106 PolarHBondContact O-N 2.8Å |
| 103 | A | 86.5 | Confident | 86.9 | Confident | 53 Ų | 53 | 70.6 Ų | 70.6 | 44% | 0.438 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -51.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F98 T105 V106 F107 | F98-A103 HydrophobicContact CD1-CB 4.44Å; A103-T105 VanDerWaalsContact C-N 3.35Å; A103-T105 PolarHBondContact O-N 2.89Å; A103-V106 PolarHBondContact O-N 3.35Å; A103-F107 PolarHBondContact O-N 3.36Å |
| 104 | P | 88.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.8 | -32.6 | 179.1 | 27.8 | -35.6 | 0 | 0 | 0 | 112.3 | F93 F98 E100 R101 F107 M108 | F93-P104 HydrophobicContact CD1-CB 4.07Å; F93-P104 HydrophobicContact CE1-CB 3.67Å; F93-P104 HydrophobicContact CZ-CB 4.35Å; F98-P104 HydrophobicContact CB-CG 4.11Å; F98-P104 HydrophobicContact CD2-CB 3.85Å; F98-P104 HydrophobicContact CD2-CG 4.2Å; F98-P104 HydrophobicContact CE2-CB 4.38Å; F98-P104 HydrophobicContact CG-CB 4.45Å; F98-P104 HydrophobicContact CG-CG 4.36Å; E100-P104 WeakPolarHBondContact O-CD 3.35Å; R101-P104 WeakPolarHBondContact O-CD 3.3Å; R101-P104 WeakPolarHBondContact O-CG 3.38Å; P104-F107 PolarHBondContact O-N 3.17Å; P104-M108 VanDerWaalsContact O-CB 3.31Å; P104-M108 WeakPolarHBondContact O-CB 3.43Å; P104-M108 VanDerWaalsContact O-CG 3.22Å; P104-M108 WeakPolarHBondContact O-CG 3.43Å; P104-M108 PolarHBondContact O-N 3.23Å |
| 105 | T | 89.5 | Confident | 87.1 | Confident | 18 Ų | 18 | 70 Ų | 70 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 173.4 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | R101 I102 A103 M108 I109 V893 | R101-T105 WeakPolarHBondContact O-CG2 3.33Å; R101-T105 PolarHBondContact O-N 2.75Å; R101-T105 PolarHBondContact O-OG1 3.17Å; I102-T105 WeakPolarHBondContact CA-OG1 3.24Å; I102-T105 PolarHBondContact O-N 2.92Å; I102-T105 PolarHBondContact O-OG1 3.47Å; A103-T105 VanDerWaalsContact C-N 3.35Å; A103-T105 PolarHBondContact O-N 2.89Å; T105-M108 WeakPolarHBondContact O-CB 3.3Å; T105-M108 PolarHBondContact O-N 2.96Å; T105-I109 VanDerWaalsContact O-CG1 3.29Å; T105-I109 WeakPolarHBondContact O-CG1 3.47Å; T105-I109 PolarHBondContact O-N 3.28Å; T105-V893 HydrophobicContact CG2-CG1 3.75Å |
| 106 | V | 89.6 | Confident | 87.2 | Confident | 88 Ų | 88 | 71.3 Ų | 71.3 | 53% | 0.533 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | I102 A103 M108 I109 F110 | I102-V106 HydrophobicContact CG2-CG2 4.29Å; I102-V106 VanDerWaalsContact O-CG2 3.29Å; I102-V106 WeakPolarHBondContact O-CG2 3.25Å; I102-V106 PolarHBondContact O-N 2.8Å; A103-V106 PolarHBondContact O-N 3.35Å; V106-M108 VanDerWaalsContact C-N 3.33Å; V106-M108 PolarHBondContact O-N 3.13Å; V106-I109 PolarHBondContact O-N 2.74Å; V106-F110 PolarHBondContact O-N 3.45Å |
| 107 | F | 90.3 | Very high | 87.3 | Confident | 111 Ų | 111 | 70 Ų | 70 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 174.4 | -177.6 | -92.5 | 0 | 0 | 0 | 111.8 | F93 A103 P104 F110 W111 | F93-F107 HydrophobicContact CE1-CB 4.37Å; F93-F107 AromaticContact CE1-CD1 3.59Å; F93-F107 HydrophobicContact CE1-CD1 3.59Å; F93-F107 HydrophobicContact CE1-CE1 4.33Å; F93-F107 HydrophobicContact CE1-CG 4.32Å; F93-F107 HydrophobicContact CE2-CD1 4.34Å; F93-F107 HydrophobicContact CE2-CE1 4.46Å; F93-F107 HydrophobicContact CZ-CB 4.29Å; F93-F107 AromaticContact CZ-CD1 3.35Å; F93-F107 HydrophobicContact CZ-CD1 3.35Å; F93-F107 AromaticContact CZ-CE1 3.85Å; F93-F107 HydrophobicContact CZ-CE1 3.85Å; F93-F107 AromaticContact CZ-CG 3.96Å; F93-F107 HydrophobicContact CZ-CG 3.96Å; A103-F107 PolarHBondContact O-N 3.36Å; P104-F107 PolarHBondContact O-N 3.17Å; F107-F110 PolarHBondContact O-N 3.32Å; F107-W111 WeakPolarHBondContact O-CB 3.47Å; F107-W111 PolarHBondContact O-N 3.11Å |
| 108 | M | 88.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.015 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 175.9 | -80.7 | -63.8 | -68.9 | 0 | 0 | 112.8 | Y90 F93 P104 T105 V106 F110 W111 L112 L890 | Y90-M108 HydrophobicContact CD1-CE 3.18Å; Y90-M108 HydrophobicContact CD1-SD 3.25Å; Y90-M108 WeakPolarHBondContact CD1-SD 3.31Å; Y90-M108 HydrophobicContact CE1-CE 3.6Å; Y90-M108 HydrophobicContact CE1-SD 3.61Å; Y90-M108 HydrophobicContact CG-CE 3.72Å; Y90-M108 HydrophobicContact CG-SD 4.28Å; F93-M108 HydrophobicContact CD1-CG 4.22Å; F93-M108 HydrophobicContact CD1-SD 4.38Å; F93-M108 HydrophobicContact CE1-CG 4.2Å; P104-M108 VanDerWaalsContact O-CB 3.31Å; P104-M108 WeakPolarHBondContact O-CB 3.43Å; P104-M108 VanDerWaalsContact O-CG 3.22Å; P104-M108 WeakPolarHBondContact O-CG 3.43Å; P104-M108 PolarHBondContact O-N 3.23Å; T105-M108 WeakPolarHBondContact O-CB 3.3Å; T105-M108 PolarHBondContact O-N 2.96Å; V106-M108 VanDerWaalsContact C-N 3.33Å; V106-M108 PolarHBondContact O-N 3.13Å; M108-F110 VanDerWaalsContact C-N 3.35Å; M108-W111 PolarHBondContact O-N 3.44Å; M108-L112 WeakPolarHBondContact O-CB 3.4Å; M108-L112 PolarHBondContact O-N 2.89Å; M108-L890 HydrophobicContact CB-CD2 4.32Å |
| 109 | I | 91 | Very high | 88 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 33% | 0.333 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 176 | -67.8 | 164.1 | 0 | 0 | 0 | 110.5 | T105 V106 L112 I113 W894 | T105-I109 VanDerWaalsContact O-CG1 3.29Å; T105-I109 WeakPolarHBondContact O-CG1 3.47Å; T105-I109 PolarHBondContact O-N 3.28Å; V106-I109 PolarHBondContact O-N 2.74Å; I109-L112 WeakPolarHBondContact O-CB 3.37Å; I109-L112 PolarHBondContact O-N 3.04Å; I109-I113 HydrophobicContact CG2-CD1 4.39Å; I109-I113 WeakPolarHBondContact O-CG1 3.33Å; I109-I113 PolarHBondContact O-N 2.97Å; I109-W894 HydrophobicContact CD1-CZ2 4.18Å |
| 110 | F | 88.5 | Confident | 88.5 | Confident | 93 Ų | 93 | 54.6 Ų | 54.6 | 41% | 0.408 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 174.9 | 179.6 | -101.7 | 0 | 0 | 0 | 111.9 | V106 F107 M108 L112 I113 L114 L703 | V106-F110 PolarHBondContact O-N 3.45Å; F107-F110 PolarHBondContact O-N 3.32Å; M108-F110 VanDerWaalsContact C-N 3.35Å; F110-L112 VanDerWaalsContact C-N 3.32Å; F110-L112 PolarHBondContact O-N 3.2Å; F110-I113 PolarHBondContact O-N 3.22Å; F110-L114 HydrophobicContact CD1-CD1 3.98Å; F110-L114 HydrophobicContact CE1-CD1 3.56Å; F110-L114 HydrophobicContact CE1-CG 4.19Å; F110-L114 HydrophobicContact CZ-CD1 4.2Å; F110-L114 HydrophobicContact CZ-CG 4.46Å; F110-L114 PolarHBondContact O-N 2.89Å; F110-L703 HydrophobicContact CE2-CD2 4.19Å; F110-L703 HydrophobicContact CZ-CD1 3.87Å; F110-L703 HydrophobicContact CZ-CD2 4.25Å |
| 111 | W | 90.6 | Very high | 88.8 | Confident | 67 Ų | 67 | 48.8 Ų | 48.8 | 25% | 0.254 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 173.9 | -178.2 | -113.6 | 0 | 0 | 0 | 112.1 | F88 Y90 F107 M108 I113 L114 L115 | F88-W111 AromaticContact CE2-CZ2 3.96Å; F88-W111 HydrophobicContact CE2-CZ2 3.96Å; F88-W111 HydrophobicContact CZ-CH2 4.34Å; F88-W111 AromaticContact CZ-CZ2 3.99Å; F88-W111 HydrophobicContact CZ-CZ2 3.99Å; Y90-W111 AromaticContact CE1-CD1 3.92Å; Y90-W111 AromaticContact CE1-NE1 3.95Å; Y90-W111 AromaticContact CZ-NE1 3.95Å; Y90-W111 PolarHBondContact OH-NE1 3.24Å; F107-W111 WeakPolarHBondContact O-CB 3.47Å; F107-W111 PolarHBondContact O-N 3.11Å; M108-W111 PolarHBondContact O-N 3.44Å; W111-I113 VanDerWaalsContact C-N 3.34Å; W111-I113 PolarHBondContact O-N 2.81Å; W111-L114 HydrophobicContact CE3-CB 4.48Å; W111-L114 HydrophobicContact CE3-CD1 4.02Å; W111-L114 HydrophobicContact CZ3-CD1 4.38Å; W111-L114 WeakPolarHBondContact O-CB 3.37Å; W111-L114 PolarHBondContact O-N 3.37Å; W111-L114 VanDerWaalsContact O-N 3.14Å; W111-L115 HydrophobicContact CD2-CG 4.49Å; W111-L115 HydrophobicContact CZ2-CD2 4.01Å; W111-L115 HydrophobicContact CZ2-CG 4.46Å; W111-L115 WeakPolarHBondContact O-CG 3.45Å; W111-L115 PolarHBondContact O-N 3.48Å |
| 112 | L | 90.4 | Very high | 89.3 | Confident | 26 Ų | 26 | 42.1 Ų | 42.1 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60 | -42.3 | 174.8 | -173 | 75.1 | 0 | 0 | 0 | 111.8 | M108 I109 F110 L114 L115 L116 L883 L887 L890 | M108-L112 WeakPolarHBondContact O-CB 3.4Å; M108-L112 PolarHBondContact O-N 2.89Å; I109-L112 WeakPolarHBondContact O-CB 3.37Å; I109-L112 PolarHBondContact O-N 3.04Å; F110-L112 VanDerWaalsContact C-N 3.32Å; F110-L112 PolarHBondContact O-N 3.2Å; L112-L114 VanDerWaalsContact C-N 3.33Å; L112-L114 PolarHBondContact O-N 3.28Å; L112-L115 PolarHBondContact O-N 2.94Å; L112-L116 HydrophobicContact CG-CD1 4.49Å; L112-L116 WeakPolarHBondContact O-CG 3.38Å; L112-L116 PolarHBondContact O-N 3.12Å; L112-L883 HydrophobicContact CD1-CD1 3.48Å; L112-L883 VanDerWaalsContact CD1-CD1 3.48Å; L112-L883 HydrophobicContact CG-CD1 4.46Å; L112-L887 HydrophobicContact CD1-CD2 4.05Å; L112-L887 HydrophobicContact CD1-CG 4.03Å; L112-L887 HydrophobicContact CD2-CD2 3.92Å; L112-L890 HydrophobicContact CD2-CD1 4.29Å |
| 113 | I | 88.1 | Confident | 89.4 | Confident | 90 Ų | 90 | 36.2 Ų | 36.2 | 46% | 0.462 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 175.3 | -66.6 | 165.3 | 0 | 0 | 0 | 110.8 | I109 F110 W111 L116 G117 | I109-I113 HydrophobicContact CG2-CD1 4.39Å; I109-I113 WeakPolarHBondContact O-CG1 3.33Å; I109-I113 PolarHBondContact O-N 2.97Å; F110-I113 PolarHBondContact O-N 3.22Å; W111-I113 VanDerWaalsContact C-N 3.34Å; W111-I113 PolarHBondContact O-N 2.81Å; I113-L116 PolarHBondContact O-N 3.41Å; I113-G117 PolarHBondContact O-N 3.21Å |
| 114 | L | 88.7 | Confident | 89.5 | Confident | 24 Ų | 24 | 36.3 Ų | 36.3 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 174.3 | -73 | 176.4 | 0 | 0 | 0 | 112.3 | F110 W111 L112 G117 A118 L703 I707 | F110-L114 HydrophobicContact CD1-CD1 3.98Å; F110-L114 HydrophobicContact CE1-CD1 3.56Å; F110-L114 HydrophobicContact CE1-CG 4.19Å; F110-L114 HydrophobicContact CZ-CD1 4.2Å; F110-L114 HydrophobicContact CZ-CG 4.46Å; F110-L114 PolarHBondContact O-N 2.89Å; W111-L114 HydrophobicContact CE3-CB 4.48Å; W111-L114 HydrophobicContact CE3-CD1 4.02Å; W111-L114 HydrophobicContact CZ3-CD1 4.38Å; W111-L114 WeakPolarHBondContact O-CB 3.37Å; W111-L114 PolarHBondContact O-N 3.37Å; W111-L114 VanDerWaalsContact O-N 3.14Å; L112-L114 VanDerWaalsContact C-N 3.33Å; L112-L114 PolarHBondContact O-N 3.28Å; L114-G117 PolarHBondContact O-N 3.45Å; L114-A118 WeakPolarHBondContact O-CB 3.09Å; L114-A118 PolarHBondContact O-N 3.43Å; L114-L703 HydrophobicContact CD2-CD1 3.81Å; L114-L703 HydrophobicContact CD2-CD2 3.61Å; L114-L703 HydrophobicContact CD2-CG 3.43Å; L114-L703 VanDerWaalsContact CD2-CG 3.43Å; L114-I707 HydrophobicContact CD2-CD1 4.43Å |
| 115 | L | 90.3 | Very high | 89.5 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 176.5 | -72.7 | 177.1 | 0 | 0 | 0 | 111.6 | W111 L112 G117 A118 F119 L879 E882 L883 | W111-L115 HydrophobicContact CD2-CG 4.49Å; W111-L115 HydrophobicContact CZ2-CD2 4.01Å; W111-L115 HydrophobicContact CZ2-CG 4.46Å; W111-L115 WeakPolarHBondContact O-CG 3.45Å; W111-L115 PolarHBondContact O-N 3.48Å; L112-L115 PolarHBondContact O-N 2.94Å; L115-G117 VanDerWaalsContact C-N 3.32Å; L115-G117 PolarHBondContact O-N 3.09Å; L115-A118 WeakPolarHBondContact O-CB 3.42Å; L115-A118 PolarHBondContact O-N 3.32Å; L115-F119 WeakPolarHBondContact O-CB 3.37Å; L115-F119 PolarHBondContact O-N 3.19Å; L115-L879 HydrophobicContact CD2-CD2 4.09Å; L115-E882 HydrophobicContact CD1-CB 4Å; L115-E882 HydrophobicContact CD2-CB 4.11Å; L115-L883 HydrophobicContact CB-CD1 4.45Å |
| 116 | L | 90 | Very high | 89.6 | Confident | 54 Ų | 54 | 37.6 Ų | 37.6 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 175.1 | -71.1 | 173.2 | 0 | 0 | 0 | 112 | L112 I113 F119 A120 L883 I912 | L112-L116 HydrophobicContact CG-CD1 4.49Å; L112-L116 WeakPolarHBondContact O-CG 3.38Å; L112-L116 PolarHBondContact O-N 3.12Å; I113-L116 PolarHBondContact O-N 3.41Å; L116-F119 PolarHBondContact O-N 2.82Å; L116-A120 PolarHBondContact O-N 3.06Å; L116-L883 HydrophobicContact CD2-CD1 3.75Å; L116-L883 HydrophobicContact CD2-CD2 4.19Å; L116-L883 HydrophobicContact CG-CD1 4.03Å; L116-I912 HydrophobicContact CD2-CD1 3.44Å; L116-I912 VanDerWaalsContact CD2-CD1 3.44Å; L116-I912 HydrophobicContact CD2-CG1 4.2Å |
| 117 | G | 88.1 | Confident | 89.7 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 6% | 0.062 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I113 L114 L115 F119 A120 T121 Q704 | I113-G117 PolarHBondContact O-N 3.21Å; L114-G117 PolarHBondContact O-N 3.45Å; L115-G117 VanDerWaalsContact C-N 3.32Å; L115-G117 PolarHBondContact O-N 3.09Å; G117-F119 VanDerWaalsContact C-N 3.3Å; G117-F119 PolarHBondContact O-N 3.22Å; G117-A120 PolarHBondContact O-N 3.1Å; G117-T121 WeakPolarHBondContact O-CG2 3.3Å; G117-T121 PolarHBondContact O-N 3.25Å; G117-T121 PolarHBondContact O-OG1 3.32Å; G117-Q704 VanDerWaalsContact CA-NE2 3.34Å |
| 118 | A | 90.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 3% | 0.033 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | L114 L115 A120 T121 I122 I707 F711 L879 | L114-A118 WeakPolarHBondContact O-CB 3.09Å; L114-A118 PolarHBondContact O-N 3.43Å; L115-A118 WeakPolarHBondContact O-CB 3.42Å; L115-A118 PolarHBondContact O-N 3.32Å; A118-A120 VanDerWaalsContact C-N 3.33Å; A118-A120 PolarHBondContact O-N 3Å; A118-T121 PolarHBondContact O-N 3.02Å; A118-T121 PolarHBondContact O-OG1 3.22Å; A118-I122 WeakPolarHBondContact O-CG2 3.2Å; A118-I122 PolarHBondContact O-N 2.97Å; A118-I707 HydrophobicContact CB-CD1 4.22Å; A118-I707 HydrophobicContact CB-CG2 3.63Å; A118-F711 HydrophobicContact CB-CE2 4.2Å; A118-F711 HydrophobicContact CB-CZ 4.11Å; A118-F711 WeakPolarHBondContact O-CE2 3.36Å; A118-L879 HydrophobicContact CB-CD1 4.25Å; A118-L879 HydrophobicContact CB-CD2 4Å |
| 119 | F | 89.4 | Confident | 89.7 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 177.3 | -148 | -64 | 0 | 0 | 0 | 111.8 | L115 L116 G117 I122 S123 I876 L879 A880 I912 G913 M916 | L115-F119 WeakPolarHBondContact O-CB 3.37Å; L115-F119 PolarHBondContact O-N 3.19Å; L116-F119 PolarHBondContact O-N 2.82Å; G117-F119 VanDerWaalsContact C-N 3.3Å; G117-F119 PolarHBondContact O-N 3.22Å; F119-I122 VanDerWaalsContact O-CG2 3.24Å; F119-I122 WeakPolarHBondContact O-CG2 3.41Å; F119-S123 VanDerWaalsContact O-CB 3.3Å; F119-S123 WeakPolarHBondContact O-CB 3.31Å; F119-S123 PolarHBondContact O-N 3.1Å; F119-S123 VanDerWaalsContact O-N 3.1Å; F119-S123 PolarHBondContact O-OG 3.14Å; F119-I876 HydrophobicContact CE1-CG2 4.39Å; F119-I876 HydrophobicContact CE2-CG2 4.33Å; F119-I876 HydrophobicContact CZ-CG2 3.7Å; F119-L879 HydrophobicContact CD2-CB 3.97Å; F119-L879 HydrophobicContact CE2-CB 4.33Å; F119-A880 HydrophobicContact CE2-CB 4.26Å; F119-I912 HydrophobicContact CD2-CG2 4.43Å; F119-I912 HydrophobicContact CE2-CG2 4.3Å; F119-I912 HydrophobicContact CZ-CG2 4.44Å; F119-G913 VanDerWaalsContact CZ-CA 3.41Å; F119-M916 HydrophobicContact CD1-CB 4.45Å |
| 120 | A | 88.7 | Confident | 89.7 | Confident | 26 Ų | 26 | 26.8 Ų | 26.8 | 22% | 0.215 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.5 | -47.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L116 G117 A118 S123 D124 M916 | L116-A120 PolarHBondContact O-N 3.06Å; G117-A120 PolarHBondContact O-N 3.1Å; A118-A120 VanDerWaalsContact C-N 3.33Å; A118-A120 PolarHBondContact O-N 3Å; A120-S123 PolarHBondContact O-N 2.63Å; A120-D124 PolarHBondContact O-N 3.18Å; A120-M916 HydrophobicContact CB-CE 3.83Å; A120-M916 HydrophobicContact CB-CG 4.13Å; A120-M916 HydrophobicContact CB-SD 3.75Å |
| 121 | T | 88.9 | Confident | 89.9 | Confident | 15 Ų | 15 | 22.4 Ų | 22.4 | 9% | 0.092 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | -178.4 | 55.7 | 0 | 0 | 0 | 0 | 112 | G117 A118 S125 Q704 | G117-T121 WeakPolarHBondContact O-CG2 3.3Å; G117-T121 PolarHBondContact O-N 3.25Å; G117-T121 PolarHBondContact O-OG1 3.32Å; A118-T121 PolarHBondContact O-N 3.02Å; A118-T121 PolarHBondContact O-OG1 3.22Å; T121-S125 PolarHBondContact O-N 3.45Å; T121-Q704 HydrophobicContact CG2-CB 4.42Å |
| 122 | I | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -64.9 | -40.7 | 176.1 | -165.3 | 166.4 | 0 | 0 | 0 | 111.8 | A118 F119 F126 F127 F711 I715 W875 I876 L879 | A118-I122 WeakPolarHBondContact O-CG2 3.2Å; A118-I122 PolarHBondContact O-N 2.97Å; F119-I122 VanDerWaalsContact O-CG2 3.24Å; F119-I122 WeakPolarHBondContact O-CG2 3.41Å; I122-F126 HydrophobicContact CG1-CB 4.27Å; I122-F126 PolarHBondContact O-N 2.77Å; I122-F127 WeakPolarHBondContact O-CB 3.47Å; I122-F127 PolarHBondContact O-N 3Å; I122-F711 HydrophobicContact CB-CD2 4.13Å; I122-F711 HydrophobicContact CB-CE2 3.87Å; I122-F711 HydrophobicContact CB-CZ 4.38Å; I122-F711 HydrophobicContact CD1-CE1 4.46Å; I122-F711 HydrophobicContact CD1-CZ 4.49Å; I122-I715 HydrophobicContact CD1-CD1 3.72Å; I122-I715 HydrophobicContact CG1-CD1 3.99Å; I122-W875 HydrophobicContact CD1-CB 3.22Å; I122-W875 HydrophobicContact CD1-CG 4.06Å; I122-I876 HydrophobicContact CD1-CG1 4.26Å; I122-I876 HydrophobicContact CG2-CG1 4.09Å; I122-L879 HydrophobicContact CG2-CD1 4.01Å |
| 123 | S | 89.9 | Confident | 89.8 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -64.9 | -44.2 | -179.8 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | F119 A120 S128 | F119-S123 VanDerWaalsContact O-CB 3.3Å; F119-S123 WeakPolarHBondContact O-CB 3.31Å; F119-S123 PolarHBondContact O-N 3.1Å; F119-S123 VanDerWaalsContact O-N 3.1Å; F119-S123 PolarHBondContact O-OG 3.14Å; A120-S123 PolarHBondContact O-N 2.63Å; S123-S128 VanDerWaalsContact O-CB 3.3Å; S123-S128 WeakPolarHBondContact O-CB 3.36Å; S123-S128 PolarHBondContact O-N 3.32Å; S123-S128 VanDerWaalsContact O-N 3.11Å |
| 124 | D | 88.4 | Confident | 89.9 | Confident | 55 Ų | 55 | 14.8 Ų | 14.8 | 29% | 0.294 | 9% | 0.09 | S | C | . | . | I | π-helix | trans | -74.8 | -66.9 | -177.6 | -161.5 | 21.4 | 0 | 0 | 0 | 111.5 | A120 F126 S128 L920 N924 | A120-D124 PolarHBondContact O-N 3.18Å; D124-F126 PolarHBondContact O-N 3.49Å; D124-S128 PolarHBondContact O-OG 3.35Å; D124-L920 HydrophobicContact CB-CD1 3.73Å; D124-L920 HydrophobicContact CB-CD2 4.35Å; D124-L920 HydrophobicContact CB-CG 4.49Å; D124-N924 PolarHBondContact OD1-ND2 3.48Å |
| 125 | S | 87.8 | Confident | 90 | Very high | 45 Ų | 45 | 14.1 Ų | 14.1 | 32% | 0.315 | 9% | 0.087 | S | C | . | . | I | π-helix | trans | -80 | -24.7 | -163.7 | -48.9 | 0 | 0 | 0 | 0 | 113.4 | T121 T129 | T121-S125 PolarHBondContact O-N 3.45Å; S125-T129 WeakPolarHBondContact O-CB 3.26Å; S125-T129 PolarHBondContact O-OG1 2.79Å |
| 126 | F | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -115.8 | -59.1 | -169.2 | -62.4 | -85.4 | 0 | 0 | 0 | 113 | I122 D124 S130 F708 F711 R712 I715 T717 | I122-F126 HydrophobicContact CG1-CB 4.27Å; I122-F126 PolarHBondContact O-N 2.77Å; D124-F126 PolarHBondContact O-N 3.49Å; F126-S130 VanDerWaalsContact O-CB 3.23Å; F126-S130 WeakPolarHBondContact O-CB 3.39Å; F126-S130 PolarHBondContact O-N 3.29Å; F126-S130 PolarHBondContact O-OG 3.26Å; F126-F708 AromaticContact CE2-CD2 3.91Å; F126-F708 HydrophobicContact CE2-CD2 3.91Å; F126-F708 AromaticContact CE2-CE2 3.87Å; F126-F708 HydrophobicContact CE2-CE2 3.87Å; F126-F708 HydrophobicContact CZ-CD2 4.2Å; F126-F708 AromaticContact CZ-CE2 3.98Å; F126-F708 HydrophobicContact CZ-CE2 3.98Å; F126-F708 HydrophobicContact CZ-CZ 4.19Å; F126-F711 HydrophobicContact CD1-CB 4.44Å; F126-F711 HydrophobicContact CD2-CB 4Å; F126-F711 HydrophobicContact CD2-CD2 4.45Å; F126-F711 HydrophobicContact CE1-CB 4.07Å; F126-F711 HydrophobicContact CE2-CB 3.57Å; F126-F711 HydrophobicContact CE2-CD2 4.29Å; F126-F711 HydrophobicContact CE2-CG 4.44Å; F126-F711 HydrophobicContact CG-CB 4.42Å; F126-F711 HydrophobicContact CZ-CB 3.62Å; F126-R712 HydrophobicContact CE1-CB 4.38Å; F126-R712 HydrophobicContact CZ-CB 4.25Å; F126-I715 HydrophobicContact CB-CD1 4.14Å; F126-I715 HydrophobicContact CB-CG2 4.11Å; F126-I715 HydrophobicContact CD1-CB 3.86Å; F126-I715 HydrophobicContact CD1-CD1 4.33Å; F126-I715 HydrophobicContact CD1-CG2 3.96Å; F126-I715 HydrophobicContact CE1-CB 4.5Å; F126-I715 HydrophobicContact CG-CD1 4.22Å; F126-I715 HydrophobicContact CG-CG2 4.44Å; F126-T717 HydrophobicContact CD1-CG2 3.38Å; F126-T717 HydrophobicContact CE1-CG2 3.94Å; F126-T717 HydrophobicContact CG-CG2 4.31Å |
| 127 | F | 92.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 17 Ų | 17 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -66.7 | -51.7 | -176.4 | 173 | -114.8 | 0 | 0 | 0 | 111.7 | I122 T129 S130 L131 L150 N154 F869 S872 I873 I876 | I122-F127 WeakPolarHBondContact O-CB 3.47Å; I122-F127 PolarHBondContact O-N 3Å; F127-T129 VanDerWaalsContact C-N 3.34Å; F127-T129 PolarHBondContact O-N 2.82Å; F127-S130 PolarHBondContact O-N 3.31Å; F127-L131 HydrophobicContact CZ-CD1 4.25Å; F127-L131 VanDerWaalsContact O-CB 3.25Å; F127-L131 WeakPolarHBondContact O-CB 3.35Å; F127-L131 PolarHBondContact O-N 3.43Å; F127-L150 HydrophobicContact CE1-CD1 3.31Å; F127-L150 HydrophobicContact CZ-CD1 3.54Å; F127-N154 WeakPolarHBondContact CE1-OD1 3.34Å; F127-F869 HydrophobicContact CD2-CD2 4.3Å; F127-F869 HydrophobicContact CD2-CE2 4.16Å; F127-F869 HydrophobicContact CE2-CD2 4.1Å; F127-F869 AromaticContact CE2-CE2 3.52Å; F127-F869 HydrophobicContact CE2-CE2 3.52Å; F127-F869 HydrophobicContact CE2-CZ 4.29Å; F127-F869 HydrophobicContact CZ-CE2 4.31Å; F127-S872 WeakPolarHBondContact CD2-OG 3.29Å; F127-I873 HydrophobicContact CE2-CG1 4.26Å; F127-I876 HydrophobicContact CB-CD1 4.12Å; F127-I876 HydrophobicContact CD1-CD1 4.22Å; F127-I876 HydrophobicContact CD2-CD1 3.9Å; F127-I876 HydrophobicContact CE2-CD1 4.34Å; F127-I876 HydrophobicContact CG-CD1 3.82Å |
| 128 | S | 89.1 | Confident | 89.6 | Confident | 9 Ų | 9 | 21.1 Ų | 21.1 | 6% | 0.063 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -62.1 | -42.4 | -179.6 | 85.6 | 0 | 0 | 0 | 0 | 111.9 | S123 D124 L131 I132 | S123-S128 VanDerWaalsContact O-CB 3.3Å; S123-S128 WeakPolarHBondContact O-CB 3.36Å; S123-S128 PolarHBondContact O-N 3.32Å; S123-S128 VanDerWaalsContact O-N 3.11Å; D124-S128 PolarHBondContact O-OG 3.35Å; S128-L131 WeakPolarHBondContact O-CB 3.27Å; S128-L131 PolarHBondContact O-N 2.85Å; S128-I132 WeakPolarHBondContact O-CG1 3.35Å; S128-I132 PolarHBondContact O-N 3.37Å |
| 129 | T | 89.7 | Confident | 89.3 | Confident | 30 Ų | 30 | 31.1 Ų | 31.1 | 18% | 0.184 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -50.9 | 176.3 | -50.7 | 0 | 0 | 0 | 0 | 111.6 | S125 F127 L131 I132 A133 V718 I719 | S125-T129 WeakPolarHBondContact O-CB 3.26Å; S125-T129 PolarHBondContact O-OG1 2.79Å; F127-T129 VanDerWaalsContact C-N 3.34Å; F127-T129 PolarHBondContact O-N 2.82Å; T129-L131 VanDerWaalsContact C-N 3.28Å; T129-L131 PolarHBondContact O-N 3.18Å; T129-I132 PolarHBondContact O-N 2.58Å; T129-A133 PolarHBondContact O-N 3.5Å; T129-V718 WeakPolarHBondContact CG2-O 3.46Å; T129-I719 HydrophobicContact CG2-CG1 4.33Å |
| 130 | S | 91.6 | Very high | 89 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.2 | -33.6 | 179.8 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | F126 F127 L134 | F126-S130 VanDerWaalsContact O-CB 3.23Å; F126-S130 WeakPolarHBondContact O-CB 3.39Å; F126-S130 PolarHBondContact O-N 3.29Å; F126-S130 PolarHBondContact O-OG 3.26Å; F127-S130 PolarHBondContact O-N 3.31Å; S130-L134 WeakPolarHBondContact O-CB 3.47Å; S130-L134 PolarHBondContact O-N 2.84Å |
| 131 | L | 91.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64 | -46.2 | 174.7 | -178.8 | 152.9 | 0 | 0 | 0 | 111.7 | F127 S128 T129 L134 A135 L149 L150 F869 | F127-L131 HydrophobicContact CZ-CD1 4.25Å; F127-L131 VanDerWaalsContact O-CB 3.25Å; F127-L131 WeakPolarHBondContact O-CB 3.35Å; F127-L131 PolarHBondContact O-N 3.43Å; S128-L131 WeakPolarHBondContact O-CB 3.27Å; S128-L131 PolarHBondContact O-N 2.85Å; T129-L131 VanDerWaalsContact C-N 3.28Å; T129-L131 PolarHBondContact O-N 3.18Å; L131-L134 PolarHBondContact O-N 3.21Å; L131-A135 VanDerWaalsContact O-CB 3.27Å; L131-A135 WeakPolarHBondContact O-CB 3.33Å; L131-A135 PolarHBondContact O-N 3.2Å; L131-L149 HydrophobicContact CD1-CB 4.45Å; L131-L149 HydrophobicContact CG-CB 4.41Å; L131-L150 HydrophobicContact CD1-CB 3.52Å; L131-L150 HydrophobicContact CD1-CD1 3.71Å; L131-L150 HydrophobicContact CD1-CD2 4.48Å; L131-L150 HydrophobicContact CD1-CG 4.07Å; L131-F869 HydrophobicContact CB-CD2 4.16Å; L131-F869 HydrophobicContact CB-CE2 4.1Å; L131-F869 HydrophobicContact CD1-CE2 4.13Å; L131-F869 HydrophobicContact CG-CE2 4.27Å |
| 132 | I | 89.1 | Confident | 88.5 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 179.6 | -68.1 | 166.1 | 0 | 0 | 0 | 110.2 | S128 T129 L134 A135 R136 E720 L722 L921 Y926 | S128-I132 WeakPolarHBondContact O-CG1 3.35Å; S128-I132 PolarHBondContact O-N 3.37Å; T129-I132 PolarHBondContact O-N 2.58Å; I132-L134 PolarHBondContact O-N 3.37Å; I132-A135 PolarHBondContact O-N 3.32Å; I132-R136 WeakPolarHBondContact O-CG 3.32Å; I132-R136 PolarHBondContact O-N 2.82Å; I132-R136 VanDerWaalsContact O-N 3.09Å; I132-E720 HydrophobicContact CG2-CB 4.48Å; I132-E720 WeakPolarHBondContact CG2-O 3.34Å; I132-L722 HydrophobicContact CG2-CB 3.93Å; I132-L722 HydrophobicContact CG2-CD1 4.45Å; I132-L921 HydrophobicContact CD1-CD1 4.4Å; I132-Y926 HydrophobicContact CD1-CD2 4.16Å; I132-Y926 HydrophobicContact CD1-CE2 3.77Å |
| 133 | A | 89.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T129 R136 S137 V718 E720 A865 | T129-A133 PolarHBondContact O-N 3.5Å; A133-R136 PolarHBondContact O-N 3.45Å; A133-S137 PolarHBondContact O-N 2.77Å; A133-V718 HydrophobicContact CB-CB 3.92Å; A133-V718 HydrophobicContact CB-CG1 4.35Å; A133-V718 WeakPolarHBondContact CB-O 3.16Å; A133-E720 VanDerWaalsContact CA-OE2 3.25Å; A133-E720 WeakPolarHBondContact CA-OE2 3.03Å; A133-E720 HydrophobicContact CB-CB 4.41Å; A133-E720 WeakPolarHBondContact CB-OE2 3.25Å; A133-A865 HydrophobicContact CB-CB 3.64Å |
| 134 | L | 91.5 | Very high | 88.2 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66 | -45.6 | 178.6 | -177.5 | 59.3 | 0 | 0 | 0 | 111.4 | S130 L131 I132 R136 S137 L138 L149 A865 T866 F869 | S130-L134 WeakPolarHBondContact O-CB 3.47Å; S130-L134 PolarHBondContact O-N 2.84Å; L131-L134 PolarHBondContact O-N 3.21Å; I132-L134 PolarHBondContact O-N 3.37Å; L134-R136 PolarHBondContact O-N 3.34Å; L134-S137 PolarHBondContact O-N 3.43Å; L134-S137 VanDerWaalsContact O-N 3.15Å; L134-S137 PolarHBondContact O-OG 3.2Å; L134-L138 HydrophobicContact CD1-CD1 3.95Å; L134-L138 HydrophobicContact CD1-CG 4.1Å; L134-L138 HydrophobicContact CG-CD1 4Å; L134-L138 HydrophobicContact CG-CG 4.49Å; L134-L138 WeakPolarHBondContact O-CG 3.42Å; L134-L138 PolarHBondContact O-N 2.96Å; L134-L149 HydrophobicContact CD2-CD1 4.38Å; L134-L149 HydrophobicContact CD2-CD2 4.1Å; L134-L149 HydrophobicContact CG-CD1 4.18Å; L134-A865 HydrophobicContact CB-CB 4.28Å; L134-T866 WeakPolarHBondContact CD1-OG1 3.47Å; L134-F869 HydrophobicContact CD2-CB 3.86Å; L134-F869 HydrophobicContact CD2-CD1 3.4Å; L134-F869 HydrophobicContact CD2-CD2 4.28Å; L134-F869 HydrophobicContact CD2-CE1 3.96Å; L134-F869 HydrophobicContact CD2-CG 3.58Å |
| 135 | A | 89.4 | Confident | 88.2 | Confident | 9 Ų | 9 | 32.6 Ų | 32.6 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.2 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L131 I132 R139 M140 A145 L149 | L131-A135 VanDerWaalsContact O-CB 3.27Å; L131-A135 WeakPolarHBondContact O-CB 3.33Å; L131-A135 PolarHBondContact O-N 3.2Å; I132-A135 PolarHBondContact O-N 3.32Å; A135-R139 PolarHBondContact O-N 3.16Å; A135-R139 VanDerWaalsContact O-N 3.11Å; A135-M140 PolarHBondContact O-N 2.88Å; A135-A145 HydrophobicContact CB-CB 3.67Å; A135-L149 HydrophobicContact CB-CD1 4Å |
| 136 | R | 85.8 | Confident | 88.3 | Confident | 86 Ų | 86 | 30.5 Ų | 30.5 | 33% | 0.325 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -72.9 | -43.7 | 176.1 | -77.7 | 177.1 | 154.6 | -179.2 | -16.5 | 113.8 | I132 A133 L134 L138 R139 E720 E721 L722 A723 | I132-R136 WeakPolarHBondContact O-CG 3.32Å; I132-R136 PolarHBondContact O-N 2.82Å; I132-R136 VanDerWaalsContact O-N 3.09Å; A133-R136 PolarHBondContact O-N 3.45Å; L134-R136 PolarHBondContact O-N 3.34Å; R136-L138 PolarHBondContact O-N 2.95Å; R136-R139 PolarHBondContact O-N 2.97Å; R136-E720 VanDerWaalsContact NH1-CB 3.26Å; R136-E721 VanDerWaalsContact NH1-N 3.19Å; R136-E721 PolarHBondContact NH1-O 3.09Å; R136-E721 PolarHBondContact NH2-O 2.97Å; R136-L722 VanDerWaalsContact NH2-CA 3.34Å; R136-A723 VanDerWaalsContact NH2-N 3.1Å |
| 137 | S | 86.5 | Confident | 88.3 | Confident | 40 Ų | 40 | 30.8 Ų | 30.8 | 28% | 0.28 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.7 | -34.2 | 176.3 | 71 | 0 | 0 | 0 | 0 | 111.6 | A133 L134 | A133-S137 PolarHBondContact O-N 2.77Å; L134-S137 PolarHBondContact O-N 3.43Å; L134-S137 VanDerWaalsContact O-N 3.15Å; L134-S137 PolarHBondContact O-OG 3.2Å |
| 138 | L | 87.9 | Confident | 88.3 | Confident | 91 Ų | 91 | 31.7 Ų | 31.7 | 48% | 0.476 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0 | 174.5 | -63.5 | 177.9 | 0 | 0 | 0 | 114.4 | L134 R136 M140 L149 | L134-L138 HydrophobicContact CD1-CD1 3.95Å; L134-L138 HydrophobicContact CD1-CG 4.1Å; L134-L138 HydrophobicContact CG-CD1 4Å; L134-L138 HydrophobicContact CG-CG 4.49Å; L134-L138 WeakPolarHBondContact O-CG 3.42Å; L134-L138 PolarHBondContact O-N 2.96Å; R136-L138 PolarHBondContact O-N 2.95Å; L138-M140 HydrophobicContact CB-CE 4.34Å; L138-M140 HydrophobicContact CB-CG 3.87Å; L138-M140 HydrophobicContact CB-SD 4.36Å; L138-M140 HydrophobicContact CD1-CE 3.98Å; L138-M140 HydrophobicContact CD1-SD 4.32Å; L138-M140 PolarHBondContact O-N 3.49Å; L138-L149 HydrophobicContact CD1-CD1 4.36Å; L138-L149 HydrophobicContact CD1-CD2 4.21Å |
| 139 | R | 84.4 | Confident | 88.4 | Confident | 214 Ų | 214 | 32.3 Ų | 32.3 | 81% | 0.808 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 39.5 | -176.4 | -59.4 | -178.9 | 174.9 | 179 | -1.8 | 113.3 | A135 R136 | A135-R139 PolarHBondContact O-N 3.16Å; A135-R139 VanDerWaalsContact O-N 3.11Å; R136-R139 PolarHBondContact O-N 2.97Å |
| 140 | M | 83.6 | Confident | 88.5 | Confident | 54 Ų | 54 | 31 Ų | 31 | 27% | 0.266 | 15% | 0.148 | S | C | . | . | trans | -82.5 | 142.3 | 178.4 | -67.9 | -169.9 | 165.9 | 0 | 0 | 111.3 | A135 L138 L144 A145 L149 | A135-M140 PolarHBondContact O-N 2.88Å; L138-M140 HydrophobicContact CB-CE 4.34Å; L138-M140 HydrophobicContact CB-CG 3.87Å; L138-M140 HydrophobicContact CB-SD 4.36Å; L138-M140 HydrophobicContact CD1-CE 3.98Å; L138-M140 HydrophobicContact CD1-SD 4.32Å; L138-M140 PolarHBondContact O-N 3.49Å; M140-L144 HydrophobicContact CB-CB 4.39Å; M140-L144 HydrophobicContact CB-CD2 3.94Å; M140-L144 HydrophobicContact CB-CG 4.19Å; M140-L144 HydrophobicContact CE-CD2 4.39Å; M140-L144 HydrophobicContact CG-CD2 3.72Å; M140-L144 HydrophobicContact CG-CG 4.15Å; M140-L144 HydrophobicContact SD-CD2 4.15Å; M140-L144 HydrophobicContact SD-CG 4.06Å; M140-A145 HydrophobicContact CB-CB 4.45Å; M140-L149 HydrophobicContact SD-CD1 3.71Å; M140-L149 HydrophobicContact SD-CD2 4.38Å; M140-L149 HydrophobicContact SD-CG 3.84Å | ||
| 141 | S | 83.9 | Confident | 88.6 | Confident | 21 Ų | 21 | 31 Ų | 31 | 15% | 0.147 | 15% | 0.148 | C | C | . | . | trans | -65.1 | 153.8 | 167.7 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | N143 L144 A145 S257 H261 | S141-N143 VanDerWaalsContact C-N 3.25Å; S141-N143 PolarHBondContact O-N 3.23Å; S141-L144 WeakPolarHBondContact O-CB 3.46Å; S141-L144 PolarHBondContact O-N 3.19Å; S141-L144 VanDerWaalsContact OG-CB 3.25Å; S141-L144 WeakPolarHBondContact OG-CB 3.45Å; S141-L144 PolarHBondContact OG-N 3.42Å; S141-A145 PolarHBondContact O-N 2.9Å; S141-S257 PolarHBondContact OG-OG 3.25Å; S141-S257 VanDerWaalsContact OG-OG 3.09Å; S141-H261 WeakPolarHBondContact CB-NE2 3.3Å | ||
| 142 | Q | 83.8 | Confident | 88.6 | Confident | 18 Ų | 18 | 34.9 Ų | 34.9 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -49.2 | -46.6 | 177.5 | -65.9 | -171.6 | -7.5 | 0 | 0 | 112.4 | A145 G146 L722 D724 I929 | Q142-A145 PolarHBondContact O-N 3.04Å; Q142-G146 PolarHBondContact O-N 3.44Å; Q142-G146 VanDerWaalsContact O-N 3.11Å; Q142-L722 HydrophobicContact CG-CD2 3.95Å; Q142-D724 PolarHBondContact NE2-OD1 2.9Å; Q142-I929 HydrophobicContact CB-CD1 3.92Å; Q142-I929 HydrophobicContact CB-CG1 3.8Å; Q142-I929 HydrophobicContact CG-CD1 4.17Å; Q142-I929 HydrophobicContact CG-CG1 4.48Å |
| 143 | N | 85.3 | Confident | 88.7 | Confident | 29 Ų | 29 | 34.3 Ų | 34.3 | 16% | 0.155 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 178.3 | -63.7 | -26.9 | 0 | 0 | 0 | 112.5 | S141 A145 G146 V147 S207 P210 | S141-N143 VanDerWaalsContact C-N 3.25Å; S141-N143 PolarHBondContact O-N 3.23Å; N143-A145 VanDerWaalsContact C-N 3.33Å; N143-G146 PolarHBondContact O-N 3.36Å; N143-V147 WeakPolarHBondContact O-CG2 3.14Å; N143-V147 PolarHBondContact O-N 3.4Å; N143-S207 PolarHBondContact ND2-OG 3.32Å; N143-P210 HydrophobicContact CB-CB 4.32Å |
| 144 | L | 88.7 | Confident | 88.7 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.8 | 176.3 | 64.3 | 0 | 0 | 0 | 110.5 | M140 S141 G146 V147 T148 T253 | M140-L144 HydrophobicContact CB-CB 4.39Å; M140-L144 HydrophobicContact CB-CD2 3.94Å; M140-L144 HydrophobicContact CB-CG 4.19Å; M140-L144 HydrophobicContact CE-CD2 4.39Å; M140-L144 HydrophobicContact CG-CD2 3.72Å; M140-L144 HydrophobicContact CG-CG 4.15Å; M140-L144 HydrophobicContact SD-CD2 4.15Å; M140-L144 HydrophobicContact SD-CG 4.06Å; S141-L144 WeakPolarHBondContact O-CB 3.46Å; S141-L144 PolarHBondContact O-N 3.19Å; S141-L144 VanDerWaalsContact OG-CB 3.25Å; S141-L144 WeakPolarHBondContact OG-CB 3.45Å; S141-L144 PolarHBondContact OG-N 3.42Å; L144-G146 PolarHBondContact O-N 2.85Å; L144-V147 PolarHBondContact O-N 3.5Å; L144-T148 HydrophobicContact CD1-CG2 3.79Å; L144-T148 WeakPolarHBondContact O-CB 3.46Å; L144-T148 PolarHBondContact O-N 3.46Å; L144-T148 VanDerWaalsContact O-N 3.08Å; L144-T148 PolarHBondContact O-OG1 2.8Å; L144-T253 HydrophobicContact CD1-CG2 3.45Å; L144-T253 VanDerWaalsContact CD1-CG2 3.45Å |
| 145 | A | 88.5 | Confident | 88.6 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A135 M140 S141 Q142 N143 L149 L150 | A135-A145 HydrophobicContact CB-CB 3.67Å; M140-A145 HydrophobicContact CB-CB 4.45Å; S141-A145 PolarHBondContact O-N 2.9Å; Q142-A145 PolarHBondContact O-N 3.04Å; N143-A145 VanDerWaalsContact C-N 3.33Å; A145-L149 HydrophobicContact CB-CD1 4.41Å; A145-L149 WeakPolarHBondContact O-CA 3.37Å; A145-L149 WeakPolarHBondContact O-CB 3.25Å; A145-L149 PolarHBondContact O-N 2.75Å; A145-L150 PolarHBondContact O-N 3.47Å |
| 146 | G | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -62 | -49.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q142 N143 L144 T148 L150 A151 | Q142-G146 PolarHBondContact O-N 3.44Å; Q142-G146 VanDerWaalsContact O-N 3.11Å; N143-G146 PolarHBondContact O-N 3.36Å; L144-G146 PolarHBondContact O-N 2.85Å; G146-T148 VanDerWaalsContact C-N 3.29Å; G146-T148 PolarHBondContact O-N 3.49Å; G146-L150 WeakPolarHBondContact O-CB 3.39Å; G146-A151 PolarHBondContact O-N 3.29Å |
| 147 | V | 91.9 | Very high | 88.4 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 4% | 0.036 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -79.4 | -7.3 | -175.4 | -55.2 | 0 | 0 | 0 | 0 | 115.1 | N143 L144 A151 Y249 T253 A932 | N143-V147 WeakPolarHBondContact O-CG2 3.14Å; N143-V147 PolarHBondContact O-N 3.4Å; L144-V147 PolarHBondContact O-N 3.5Å; V147-A151 WeakPolarHBondContact O-CB 3.43Å; V147-Y249 WeakPolarHBondContact CB-OH 3.19Å; V147-T253 HydrophobicContact CG2-CG2 3.67Å; V147-A932 HydrophobicContact CG1-CB 3.79Å |
| 148 | T | 91.9 | Very high | 88.4 | Confident | 21 Ų | 21 | 28.8 Ų | 28.8 | 13% | 0.129 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -123 | -65.3 | 179.9 | 60 | 0 | 0 | 0 | 0 | 112.3 | L144 G146 F152 | L144-T148 HydrophobicContact CD1-CG2 3.79Å; L144-T148 WeakPolarHBondContact O-CB 3.46Å; L144-T148 PolarHBondContact O-N 3.46Å; L144-T148 VanDerWaalsContact O-N 3.08Å; L144-T148 PolarHBondContact O-OG1 2.8Å; G146-T148 VanDerWaalsContact C-N 3.29Å; G146-T148 PolarHBondContact O-N 3.49Å; T148-F152 WeakPolarHBondContact O-CB 3.34Å; T148-F152 PolarHBondContact O-N 3.03Å |
| 149 | L | 91.8 | Very high | 88.4 | Confident | 21 Ų | 21 | 24.9 Ų | 24.9 | 11% | 0.11 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -67.9 | -51 | -176.9 | -61.6 | 177.8 | 0 | 0 | 0 | 111.3 | L131 L134 A135 L138 M140 A145 F152 G153 F869 | L131-L149 HydrophobicContact CD1-CB 4.45Å; L131-L149 HydrophobicContact CG-CB 4.41Å; L134-L149 HydrophobicContact CD2-CD1 4.38Å; L134-L149 HydrophobicContact CD2-CD2 4.1Å; L134-L149 HydrophobicContact CG-CD1 4.18Å; A135-L149 HydrophobicContact CB-CD1 4Å; L138-L149 HydrophobicContact CD1-CD1 4.36Å; L138-L149 HydrophobicContact CD1-CD2 4.21Å; M140-L149 HydrophobicContact SD-CD1 3.71Å; M140-L149 HydrophobicContact SD-CD2 4.38Å; M140-L149 HydrophobicContact SD-CG 3.84Å; A145-L149 HydrophobicContact CB-CD1 4.41Å; A145-L149 WeakPolarHBondContact O-CA 3.37Å; A145-L149 WeakPolarHBondContact O-CB 3.25Å; A145-L149 PolarHBondContact O-N 2.75Å; L149-F152 PolarHBondContact O-N 3.24Å; L149-G153 PolarHBondContact O-N 3.39Å; L149-F869 HydrophobicContact CB-CZ 4.31Å; L149-F869 VanDerWaalsContact O-CZ 3.32Å; L149-F869 WeakPolarHBondContact O-CZ 3.39Å |
| 150 | L | 92.7 | Very high | 88.3 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -66.9 | -43 | 179.8 | -172.9 | 46 | 0 | 0 | 0 | 111.1 | F127 L131 A145 G146 F152 G153 N154 N918 L921 I929 A933 | F127-L150 HydrophobicContact CE1-CD1 3.31Å; F127-L150 HydrophobicContact CZ-CD1 3.54Å; L131-L150 HydrophobicContact CD1-CB 3.52Å; L131-L150 HydrophobicContact CD1-CD1 3.71Å; L131-L150 HydrophobicContact CD1-CD2 4.48Å; L131-L150 HydrophobicContact CD1-CG 4.07Å; A145-L150 PolarHBondContact O-N 3.47Å; G146-L150 WeakPolarHBondContact O-CB 3.39Å; L150-F152 VanDerWaalsContact C-N 3.31Å; L150-F152 PolarHBondContact O-N 3.14Å; L150-G153 PolarHBondContact O-N 3.5Å; L150-G153 VanDerWaalsContact O-N 3.12Å; L150-N154 PolarHBondContact O-N 2.85Å; L150-N918 WeakPolarHBondContact CD2-OD1 3.38Å; L150-L921 HydrophobicContact CD2-CD2 3.4Å; L150-I929 HydrophobicContact CD2-CG2 4.15Å; L150-A933 HydrophobicContact CB-CB 3.86Å; L150-A933 HydrophobicContact CD2-CB 3.43Å; L150-A933 VanDerWaalsContact CD2-CB 3.43Å; L150-A933 HydrophobicContact CG-CB 3.44Å; L150-A933 VanDerWaalsContact CG-CB 3.44Å |
| 151 | A | 92.9 | Very high | 88 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.2 | -42.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G146 V147 G155 G936 F940 | G146-A151 PolarHBondContact O-N 3.29Å; V147-A151 WeakPolarHBondContact O-CB 3.43Å; A151-G155 WeakPolarHBondContact O-CA 3.41Å; A151-G155 PolarHBondContact O-N 3.37Å; A151-G936 VanDerWaalsContact CB-C 3.46Å; A151-F940 HydrophobicContact CB-CB 4.42Å |
| 152 | F | 92.3 | Very high | 87.8 | Confident | 85 Ų | 85 | 18 Ų | 18 | 37% | 0.373 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -67 | -43 | 174.4 | 177.4 | -97.5 | 0 | 0 | 0 | 111.7 | T148 L149 L150 N154 A156 F869 I873 F940 | T148-F152 WeakPolarHBondContact O-CB 3.34Å; T148-F152 PolarHBondContact O-N 3.03Å; L149-F152 PolarHBondContact O-N 3.24Å; L150-F152 VanDerWaalsContact C-N 3.31Å; L150-F152 PolarHBondContact O-N 3.14Å; F152-N154 PolarHBondContact O-N 3.12Å; F152-A156 HydrophobicContact CD2-CB 4.43Å; F152-A156 HydrophobicContact CE2-CB 4.24Å; F152-A156 HydrophobicContact CZ-CB 4.34Å; F152-A156 WeakPolarHBondContact O-CB 3.21Å; F152-A156 PolarHBondContact O-N 2.96Å; F152-F869 HydrophobicContact CD1-CE1 4.05Å; F152-F869 HydrophobicContact CD1-CZ 4.41Å; F152-I873 HydrophobicContact CD1-CD1 3.72Å; F152-I873 HydrophobicContact CE1-CD1 3.67Å; F152-F940 HydrophobicContact CB-CE2 4.32Å; F152-F940 AromaticContact CD2-CE2 3.72Å; F152-F940 HydrophobicContact CD2-CE2 3.72Å; F152-F940 AromaticContact CD2-CZ 3.58Å; F152-F940 HydrophobicContact CD2-CZ 3.58Å; F152-F940 HydrophobicContact CE2-CZ 4.25Å; F152-F940 HydrophobicContact CG-CZ 4.45Å |
| 153 | G | 90.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L149 L150 | L149-G153 PolarHBondContact O-N 3.39Å; L150-G153 PolarHBondContact O-N 3.5Å; L150-G153 VanDerWaalsContact O-N 3.12Å |
| 154 | N | 89.5 | Confident | 87.3 | Confident | 10 Ų | 10 | 20.3 Ų | 20.3 | 5% | 0.053 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -82.8 | -39.7 | 177.4 | -66.9 | -7.2 | 0 | 0 | 0 | 112.6 | F127 L150 F152 P157 D914 S917 | F127-N154 WeakPolarHBondContact CE1-OD1 3.34Å; L150-N154 PolarHBondContact O-N 2.85Å; F152-N154 PolarHBondContact O-N 3.12Å; N154-P157 WeakPolarHBondContact O-CD 3.44Å; N154-D914 VanDerWaalsContact CB-OD1 3.25Å; N154-D914 WeakPolarHBondContact CB-OD1 3.46Å; N154-D914 PolarHBondContact ND2-OD1 3.16Å; N154-S917 PolarHBondContact ND2-OG 3.34Å; N154-S917 PolarHBondContact OD1-OG 2.9Å |
| 155 | G | 89 | Confident | 86.6 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -84.4 | -21.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | A151 D158 V159 N941 | A151-G155 WeakPolarHBondContact O-CA 3.41Å; A151-G155 PolarHBondContact O-N 3.37Å; G155-D158 PolarHBondContact O-N 2.73Å; G155-V159 WeakPolarHBondContact O-CG2 3.38Å; G155-V159 PolarHBondContact O-N 3.37Å; G155-N941 VanDerWaalsContact C-OD1 3.31Å; G155-N941 WeakPolarHBondContact CA-OD1 3.33Å; G155-N941 PolarHBondContact O-OD1 2.75Å |
| 156 | A | 88.7 | Confident | 86 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F152 D158 V159 F160 I873 | F152-A156 HydrophobicContact CD2-CB 4.43Å; F152-A156 HydrophobicContact CE2-CB 4.24Å; F152-A156 HydrophobicContact CZ-CB 4.34Å; F152-A156 WeakPolarHBondContact O-CB 3.21Å; F152-A156 PolarHBondContact O-N 2.96Å; A156-D158 PolarHBondContact O-N 3.22Å; A156-V159 PolarHBondContact O-N 2.96Å; A156-F160 HydrophobicContact CB-CD2 4.46Å; A156-F160 HydrophobicContact CB-CE2 4.17Å; A156-F160 WeakPolarHBondContact O-CD2 3.28Å; A156-F160 PolarHBondContact O-N 2.97Å; A156-I873 HydrophobicContact CB-CG2 4.39Å |
| 157 | P | 83.5 | Confident | 85.4 | Confident | 7 Ų | 7 | 24.9 Ų | 24.9 | 5% | 0.045 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -52.9 | -50.2 | 173 | -26.5 | 33.5 | 0 | 0 | 0 | 113.4 | N154 V159 F160 S161 I876 Y877 | N154-P157 WeakPolarHBondContact O-CD 3.44Å; P157-V159 VanDerWaalsContact C-N 3.32Å; P157-V159 PolarHBondContact O-N 3.4Å; P157-F160 PolarHBondContact O-N 3.3Å; P157-S161 PolarHBondContact O-N 2.82Å; P157-S161 PolarHBondContact O-OG 3.29Å; P157-I876 HydrophobicContact CG-CG2 4.1Å; P157-Y877 HydrophobicContact CB-CD2 4.06Å |
| 158 | D | 84.9 | Confident | 84.1 | Confident | 11 Ų | 11 | 28.9 Ų | 28.9 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 179.6 | -66.9 | -33.6 | 0 | 0 | 0 | 112.5 | G155 A156 S161 A162 N941 | G155-D158 PolarHBondContact O-N 2.73Å; A156-D158 PolarHBondContact O-N 3.22Å; D158-S161 PolarHBondContact O-N 3.46Å; D158-A162 WeakPolarHBondContact O-CB 3.49Å; D158-A162 PolarHBondContact O-N 3Å; D158-N941 PolarHBondContact OD2-ND2 2.86Å |
| 159 | V | 88 | Confident | 82.6 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 177.3 | 167.1 | 0 | 0 | 0 | 0 | 110.6 | G155 A156 P157 A162 V163 F940 L944 | G155-V159 WeakPolarHBondContact O-CG2 3.38Å; G155-V159 PolarHBondContact O-N 3.37Å; A156-V159 PolarHBondContact O-N 2.96Å; P157-V159 VanDerWaalsContact C-N 3.32Å; P157-V159 PolarHBondContact O-N 3.4Å; V159-A162 PolarHBondContact O-N 2.96Å; V159-V163 HydrophobicContact CG1-CG2 4.46Å; V159-V163 WeakPolarHBondContact O-CB 3.09Å; V159-V163 WeakPolarHBondContact O-CG2 3.45Å; V159-V163 PolarHBondContact O-N 3.07Å; V159-F940 HydrophobicContact CB-CE1 4.41Å; V159-F940 HydrophobicContact CG2-CD1 3.98Å; V159-F940 HydrophobicContact CG2-CE1 3.57Å; V159-F940 HydrophobicContact CG2-CZ 4.48Å; V159-L944 HydrophobicContact CG2-CB 4.38Å |
| 160 | F | 82.2 | Confident | 80.7 | Confident | 114 Ų | 114 | 30.4 Ų | 30.4 | 50% | 0.5 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.4 | -42.6 | 179.1 | -70.5 | -59.3 | 0 | 0 | 0 | 111.8 | A156 P157 A162 V163 T164 Y877 | A156-F160 HydrophobicContact CB-CD2 4.46Å; A156-F160 HydrophobicContact CB-CE2 4.17Å; A156-F160 WeakPolarHBondContact O-CD2 3.28Å; A156-F160 PolarHBondContact O-N 2.97Å; P157-F160 PolarHBondContact O-N 3.3Å; F160-A162 VanDerWaalsContact C-N 3.35Å; F160-A162 PolarHBondContact O-N 3.47Å; F160-V163 PolarHBondContact O-N 3.48Å; F160-T164 PolarHBondContact O-N 3.33Å; F160-T164 PolarHBondContact O-OG1 2.93Å; F160-Y877 HydrophobicContact CB-CE2 4.19Å |
| 161 | S | 77.2 | Confident | 78.7 | Confident | 29 Ų | 29 | 35 Ų | 35 | 20% | 0.203 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 175.4 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | P157 D158 T164 A165 H881 | P157-S161 PolarHBondContact O-N 2.82Å; P157-S161 PolarHBondContact O-OG 3.29Å; D158-S161 PolarHBondContact O-N 3.46Å; S161-T164 WeakPolarHBondContact CA-OG1 3.32Å; S161-T164 PolarHBondContact O-N 3Å; S161-T164 PolarHBondContact O-OG1 2.98Å; S161-A165 VanDerWaalsContact O-CB 3.29Å; S161-A165 WeakPolarHBondContact O-CB 3.27Å; S161-A165 PolarHBondContact O-N 3.48Å; S161-H881 PolarHBondContact OG-CE1 3.01Å; S161-H881 PolarHBondContact OG-NE2 3.32Å |
| 162 | A | 81 | Confident | 76.4 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.7 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D158 V159 F160 A165 I166 L183 | D158-A162 WeakPolarHBondContact O-CB 3.49Å; D158-A162 PolarHBondContact O-N 3Å; V159-A162 PolarHBondContact O-N 2.96Å; F160-A162 VanDerWaalsContact C-N 3.35Å; F160-A162 PolarHBondContact O-N 3.47Å; A162-A165 PolarHBondContact O-N 2.98Å; A162-I166 WeakPolarHBondContact O-CB 3.24Å; A162-I166 WeakPolarHBondContact O-CG1 3.5Å; A162-I166 PolarHBondContact O-N 2.88Å; A162-L183 HydrophobicContact CB-CD1 4.32Å; A162-L183 HydrophobicContact CB-CD2 3.83Å; A162-L183 HydrophobicContact CB-CG 4.25Å |
| 163 | V | 83.5 | Confident | 74.4 | Confident | 24 Ų | 24 | 39.9 Ų | 39.9 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 175.2 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | V159 F160 T167 L948 S949 | V159-V163 HydrophobicContact CG1-CG2 4.46Å; V159-V163 WeakPolarHBondContact O-CB 3.09Å; V159-V163 WeakPolarHBondContact O-CG2 3.45Å; V159-V163 PolarHBondContact O-N 3.07Å; F160-V163 PolarHBondContact O-N 3.48Å; V163-T167 HydrophobicContact CG1-CG2 4.22Å; V163-T167 VanDerWaalsContact O-CB 3.22Å; V163-T167 WeakPolarHBondContact O-CB 3.39Å; V163-T167 WeakPolarHBondContact O-CG2 2.97Å; V163-T167 PolarHBondContact O-N 2.82Å; V163-T167 PolarHBondContact O-OG1 3.21Å; V163-L948 HydrophobicContact CG2-CB 4.09Å; V163-L948 HydrophobicContact CG2-CD2 3.91Å; V163-L948 HydrophobicContact CG2-CG 3.94Å; V163-S949 VanDerWaalsContact CA-OG 3.25Å; V163-S949 WeakPolarHBondContact CA-OG 3.17Å; V163-S949 VanDerWaalsContact CG2-OG 3.3Å; V163-S949 WeakPolarHBondContact CG2-OG 3.34Å; V163-S949 PolarHBondContact N-OG 3.46Å |
| 164 | T | 75.3 | Confident | 72.1 | Confident | 70 Ų | 70 | 43.2 Ų | 43.2 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.7 | -51.2 | 176.1 | 49.8 | 0 | 0 | 0 | 0 | 110.5 | F160 S161 I166 T167 T168 | F160-T164 PolarHBondContact O-N 3.33Å; F160-T164 PolarHBondContact O-OG1 2.93Å; S161-T164 WeakPolarHBondContact CA-OG1 3.32Å; S161-T164 PolarHBondContact O-N 3Å; S161-T164 PolarHBondContact O-OG1 2.98Å; T164-I166 PolarHBondContact O-N 2.84Å; T164-T167 PolarHBondContact O-N 3.24Å; T164-T168 WeakPolarHBondContact O-CB 3.12Å; T164-T168 PolarHBondContact O-N 3.31Å; T164-T168 PolarHBondContact O-OG1 3.43Å |
| 165 | A | 72.4 | Confident | 70.3 | Confident | 60 Ų | 60 | 47.6 Ų | 47.6 | 50% | 0.496 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S161 A162 G169 | S161-A165 VanDerWaalsContact O-CB 3.29Å; S161-A165 WeakPolarHBondContact O-CB 3.27Å; S161-A165 PolarHBondContact O-N 3.48Å; A162-A165 PolarHBondContact O-N 2.98Å; A165-G169 PolarHBondContact O-N 3.01Å; A165-G169 VanDerWaalsContact O-N 3.12Å |
| 166 | I | 76.6 | Confident | 68.5 | Low | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.9 | -35.2 | -178.1 | -66.3 | 165.9 | 0 | 0 | 0 | 111.4 | A162 T164 S949 Y950 K953 | A162-I166 WeakPolarHBondContact O-CB 3.24Å; A162-I166 WeakPolarHBondContact O-CG1 3.5Å; A162-I166 PolarHBondContact O-N 2.88Å; T164-I166 PolarHBondContact O-N 2.84Å; I166-S949 VanDerWaalsContact CD1-CB 3.47Å; I166-Y950 HydrophobicContact CG2-CD1 4.36Å; I166-Y950 HydrophobicContact CG2-CE1 4.22Å; I166-K953 HydrophobicContact CG2-CB 4.48Å; I166-K953 HydrophobicContact CG2-CD 3.88Å |
| 167 | T | 76.8 | Confident | 66.9 | Low | 38 Ų | 38 | 48.8 Ų | 48.8 | 23% | 0.233 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -86.6 | -25.3 | -175.1 | 65.3 | 0 | 0 | 0 | 0 | 114.2 | V163 T164 V952 | V163-T167 HydrophobicContact CG1-CG2 4.22Å; V163-T167 VanDerWaalsContact O-CB 3.22Å; V163-T167 WeakPolarHBondContact O-CB 3.39Å; V163-T167 WeakPolarHBondContact O-CG2 2.97Å; V163-T167 PolarHBondContact O-N 2.82Å; V163-T167 PolarHBondContact O-OG1 3.21Å; T164-T167 PolarHBondContact O-N 3.24Å; T167-V952 HydrophobicContact CG2-CB 3.86Å; T167-V952 HydrophobicContact CG2-CG1 3.59Å |
| 168 | T | 66.1 | Low | 65.9 | Low | 89 Ų | 89 | 54.4 Ų | 54.4 | 55% | 0.546 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -97.3 | -8.2 | 173.2 | 65.4 | 0 | 0 | 0 | 0 | 113.1 | T164 | T164-T168 WeakPolarHBondContact O-CB 3.12Å; T164-T168 PolarHBondContact O-N 3.31Å; T164-T168 PolarHBondContact O-OG1 3.43Å |
| 169 | G | 59.5 | Low | 65.3 | Low | 31 Ų | 31 | 54.5 Ų | 54.5 | 32% | 0.32 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -56.1 | 140.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A165 | A165-G169 PolarHBondContact O-N 3.01Å; A165-G169 VanDerWaalsContact O-N 3.12Å |
| 170 | D | 53.1 | Low | 65 | Low | 43 Ų | 43 | 54.4 Ų | 54.4 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | trans | -60.7 | 128.8 | -178.2 | -179.3 | 15.6 | 0 | 0 | 0 | 111.1 | D172 A173 | D170-D172 PolarHBondContact O-N 2.67Å; D170-D172 PolarHBondContact OD1-N 3.22Å; D170-A173 HydrophobicContact CB-CB 4.23Å; D170-A173 PolarHBondContact OD2-N 3.14Å | ||
| 171 | P | 49.7 | Very low | 65 | Low | 99 Ų | 99 | 49.7 Ų | 49.7 | 64% | 0.643 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -61.3 | -24.9 | 169.7 | 24.1 | -34.3 | 0 | 0 | 0 | 113.9 | ||
| 172 | D | 44.2 | Very low | 65.2 | Low | 143 Ų | 143 | 51.8 Ų | 51.8 | 77% | 0.765 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -87.9 | -17.8 | -175.8 | -65.3 | -30.8 | 0 | 0 | 0 | 113.3 | D170 P174 | D170-D172 PolarHBondContact O-N 2.67Å; D170-D172 PolarHBondContact OD1-N 3.22Å; D172-P174 VanDerWaalsContact O-CD 3.24Å; D172-P174 WeakPolarHBondContact O-CD 3.43Å |
| 173 | A | 49.8 | Very low | 65.6 | Low | 44 Ų | 44 | 51.7 Ų | 51.7 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -106.9 | 89.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | D170 D175 | D170-A173 HydrophobicContact CB-CB 4.23Å; D170-A173 PolarHBondContact OD2-N 3.14Å; A173-D175 PolarHBondContact O-N 2.71Å |
| 174 | P | 43.7 | Very low | 65.8 | Low | 70 Ų | 70 | 50.5 Ų | 50.5 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | trans | -77.4 | 50.6 | -172.9 | 33.9 | -37.7 | 0 | 0 | 0 | 113.4 | D172 E176 S965 | D172-P174 VanDerWaalsContact O-CD 3.24Å; D172-P174 WeakPolarHBondContact O-CD 3.43Å; P174-E176 HydrophobicContact CB-CG 4.05Å; P174-E176 PolarHBondContact O-N 3.04Å; P174-S965 PolarHBondContact O-OG 2.98Å | ||
| 175 | D | 50.8 | Low | 66.5 | Low | 102 Ų | 102 | 47.9 Ų | 47.9 | 55% | 0.545 | 30% | 0.297 | S | S | . | . | trans | -72.9 | 34.5 | 165.5 | -64.4 | -21.7 | 0 | 0 | 0 | 110.4 | A173 G177 L178 | A173-D175 PolarHBondContact O-N 2.71Å; D175-G177 PolarHBondContact O-N 3.44Å; D175-G177 VanDerWaalsContact O-N 3.16Å; D175-L178 HydrophobicContact CB-CB 4.34Å; D175-L178 WeakPolarHBondContact O-CB 3.27Å; D175-L178 PolarHBondContact O-N 2.82Å | ||
| 176 | E | 51.5 | Low | 67.3 | Low | 26 Ų | 26 | 45.1 Ų | 45.1 | 12% | 0.121 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -22 | -168.7 | -46.4 | -162 | 123.2 | 0 | 0 | 112.8 | P174 L178 Y950 K953 Y963 L964 | P174-E176 HydrophobicContact CB-CG 4.05Å; P174-E176 PolarHBondContact O-N 3.04Å; E176-L178 VanDerWaalsContact C-N 3.3Å; E176-Y950 PolarHBondContact O-OH 2.84Å; E176-K953 WeakPolarHBondContact OE1-CE 3.36Å; E176-K953 IonicContact OE1-NZ 3.05Å; E176-K953 PolarHBondContact OE1-NZ 3.45Å; E176-Y963 WeakPolarHBondContact CB-O 3.17Å; E176-Y963 VanDerWaalsContact OE2-C 3.26Å; E176-Y963 VanDerWaalsContact OE2-CA 3.3Å; E176-Y963 WeakPolarHBondContact OE2-CA 3.5Å; E176-Y963 WeakPolarHBondContact OE2-CB 3.21Å; E176-Y963 PolarHBondContact OE2-N 3.49Å; E176-L964 WeakPolarHBondContact O-CD1 3.28Å |
| 177 | G | 54.2 | Low | 68.1 | Low | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76.2 | -14.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D175 G181 Q970 | D175-G177 PolarHBondContact O-N 3.44Å; D175-G177 VanDerWaalsContact O-N 3.16Å; G177-G181 PolarHBondContact O-N 2.76Å; G177-Q970 PolarHBondContact O-NE2 3.16Å |
| 178 | L | 63.7 | Low | 68.9 | Low | 126 Ų | 126 | 42.8 Ų | 42.8 | 66% | 0.66 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.1 | -39.6 | -178.9 | -167.9 | 71.2 | 0 | 0 | 0 | 111.2 | D175 E176 G181 F182 | D175-L178 HydrophobicContact CB-CB 4.34Å; D175-L178 WeakPolarHBondContact O-CB 3.27Å; D175-L178 PolarHBondContact O-N 2.82Å; E176-L178 VanDerWaalsContact C-N 3.3Å; L178-G181 PolarHBondContact O-N 3.21Å; L178-F182 VanDerWaalsContact O-CB 3.28Å; L178-F182 WeakPolarHBondContact O-CB 3.37Å; L178-F182 PolarHBondContact O-N 3.25Å |
| 179 | G | 71.8 | Confident | 70.3 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 13% | 0.134 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -47.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F182 L183 | G179-F182 PolarHBondContact O-N 3.38Å; G179-L183 WeakPolarHBondContact O-CG 3.33Å; G179-L183 PolarHBondContact O-N 2.98Å |
| 180 | L | 82.8 | Confident | 72 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.8 | -39.1 | 175.3 | -174.2 | 65.2 | 0 | 0 | 0 | 111.6 | F182 L183 L184 L942 A946 L964 F974 | L180-F182 VanDerWaalsContact C-N 3.34Å; L180-F182 PolarHBondContact O-N 3.26Å; L180-L183 PolarHBondContact O-N 2.91Å; L180-L184 HydrophobicContact CD1-CD1 4.28Å; L180-L184 HydrophobicContact CG-CD1 3.99Å; L180-L184 WeakPolarHBondContact O-CG 3.33Å; L180-L184 PolarHBondContact O-N 2.82Å; L180-L184 VanDerWaalsContact O-N 3.15Å; L180-L942 HydrophobicContact CD1-CD1 3.79Å; L180-A946 HydrophobicContact CD1-CB 4Å; L180-L964 HydrophobicContact CD2-CD2 3.82Å; L180-F974 HydrophobicContact CD2-CZ 4.02Å; L180-F974 HydrophobicContact CG-CZ 4.44Å |
| 181 | G | 80.9 | Confident | 74.1 | Confident | 16 Ų | 16 | 35.1 Ų | 35.1 | 17% | 0.165 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G177 L178 L184 G185 | G177-G181 PolarHBondContact O-N 2.76Å; L178-G181 PolarHBondContact O-N 3.21Å; G181-L184 PolarHBondContact O-N 3.12Å; G181-G185 PolarHBondContact O-N 3.21Å |
| 182 | F | 82.3 | Confident | 76.3 | Confident | 72 Ų | 72 | 30.4 Ų | 30.4 | 32% | 0.316 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.2 | -51.1 | 175.9 | 170.8 | -101.8 | 0 | 0 | 0 | 111.9 | L178 G179 L180 L184 G185 S186 | L178-F182 VanDerWaalsContact O-CB 3.28Å; L178-F182 WeakPolarHBondContact O-CB 3.37Å; L178-F182 PolarHBondContact O-N 3.25Å; G179-F182 PolarHBondContact O-N 3.38Å; L180-F182 VanDerWaalsContact C-N 3.34Å; L180-F182 PolarHBondContact O-N 3.26Å; F182-L184 VanDerWaalsContact C-N 3.28Å; F182-L184 PolarHBondContact O-N 3.02Å; F182-G185 PolarHBondContact O-N 3.45Å; F182-S186 PolarHBondContact O-N 2.98Å; F182-S186 PolarHBondContact O-OG 3.18Å |
| 183 | L | 88.3 | Confident | 78.8 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -35 | -180 | -69 | 172.9 | 0 | 0 | 0 | 113 | A162 G179 L180 S186 G187 N941 A946 | A162-L183 HydrophobicContact CB-CD1 4.32Å; A162-L183 HydrophobicContact CB-CD2 3.83Å; A162-L183 HydrophobicContact CB-CG 4.25Å; G179-L183 WeakPolarHBondContact O-CG 3.33Å; G179-L183 PolarHBondContact O-N 2.98Å; L180-L183 PolarHBondContact O-N 2.91Å; L183-S186 PolarHBondContact O-OG 3.32Å; L183-S186 VanDerWaalsContact O-OG 3.06Å; L183-G187 PolarHBondContact O-N 3.43Å; L183-N941 HydrophobicContact CD2-CB 4.19Å; L183-A946 HydrophobicContact CD1-CB 4.08Å |
| 184 | L | 89.4 | Confident | 81 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -83.6 | -30.4 | 178.7 | -69.6 | 169 | 0 | 0 | 0 | 112.8 | L180 G181 F182 G187 L188 V222 L942 L973 F974 L977 | L180-L184 HydrophobicContact CD1-CD1 4.28Å; L180-L184 HydrophobicContact CG-CD1 3.99Å; L180-L184 WeakPolarHBondContact O-CG 3.33Å; L180-L184 PolarHBondContact O-N 2.82Å; L180-L184 VanDerWaalsContact O-N 3.15Å; G181-L184 PolarHBondContact O-N 3.12Å; F182-L184 VanDerWaalsContact C-N 3.28Å; F182-L184 PolarHBondContact O-N 3.02Å; L184-G187 CarbonylContact O-C 3.45Å; L184-G187 PolarHBondContact O-N 2.9Å; L184-L188 PolarHBondContact O-N 3.2Å; L184-V222 HydrophobicContact CD2-CG2 4.4Å; L184-L942 HydrophobicContact CD2-CD1 3.84Å; L184-L942 HydrophobicContact CD2-CD2 4.02Å; L184-L942 HydrophobicContact CD2-CG 4.47Å; L184-L942 HydrophobicContact CG-CD1 4.28Å; L184-L973 HydrophobicContact CB-CD2 3.4Å; L184-L973 VanDerWaalsContact CB-CD2 3.4Å; L184-L973 HydrophobicContact CB-CG 4.4Å; L184-L973 HydrophobicContact CD1-CD2 4Å; L184-L973 HydrophobicContact CG-CD2 4.34Å; L184-F974 HydrophobicContact CD1-CD1 4Å; L184-F974 HydrophobicContact CD1-CD2 4.12Å; L184-F974 HydrophobicContact CD1-CE1 3.3Å; L184-F974 HydrophobicContact CD1-CE2 3.39Å; L184-F974 HydrophobicContact CD1-CG 4.4Å; L184-F974 HydrophobicContact CD1-CZ 2.98Å; L184-F974 HydrophobicContact CG-CZ 4.45Å; L184-L977 HydrophobicContact CD2-CD2 3.79Å |
| 185 | G | 89.2 | Confident | 83.6 | Confident | 14 Ų | 14 | 19.2 Ų | 19.2 | 14% | 0.144 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G181 F182 G187 L188 L189 | G181-G185 PolarHBondContact O-N 3.21Å; F182-G185 PolarHBondContact O-N 3.45Å; G185-G187 VanDerWaalsContact C-N 3.32Å; G185-L188 PolarHBondContact O-N 2.95Å; G185-L189 PolarHBondContact O-N 2.95Å; G185-L189 VanDerWaalsContact O-N 3.08Å |
| 186 | S | 89.4 | Confident | 85.8 | Confident | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.1 | -43 | 170.5 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | F182 L183 L188 L189 V190 | F182-S186 PolarHBondContact O-N 2.98Å; F182-S186 PolarHBondContact O-OG 3.18Å; L183-S186 PolarHBondContact O-OG 3.32Å; L183-S186 VanDerWaalsContact O-OG 3.06Å; S186-L188 VanDerWaalsContact C-N 3.34Å; S186-L188 PolarHBondContact O-N 3.32Å; S186-L189 WeakPolarHBondContact O-CB 3.5Å; S186-L189 PolarHBondContact O-N 3.08Å; S186-L189 VanDerWaalsContact O-N 3.15Å; S186-V190 WeakPolarHBondContact O-CG2 3.25Å; S186-V190 PolarHBondContact O-N 3.22Å |
| 187 | G | 93.1 | Very high | 88 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.8 | -39.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L183 L184 G185 N191 | L183-G187 PolarHBondContact O-N 3.43Å; L184-G187 CarbonylContact O-C 3.45Å; L184-G187 PolarHBondContact O-N 2.9Å; G185-G187 VanDerWaalsContact C-N 3.32Å; G187-N191 WeakPolarHBondContact O-CB 3.43Å; G187-N191 PolarHBondContact O-N 2.93Å |
| 188 | L | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.9 | -44.9 | 174.4 | 179.3 | 61.8 | 0 | 0 | 0 | 111.3 | L184 G185 S186 N191 T192 C976 L977 V980 Y1007 F1010 | L184-L188 PolarHBondContact O-N 3.2Å; G185-L188 PolarHBondContact O-N 2.95Å; S186-L188 VanDerWaalsContact C-N 3.34Å; S186-L188 PolarHBondContact O-N 3.32Å; L188-N191 PolarHBondContact O-N 3.1Å; L188-T192 HydrophobicContact CD1-CG2 3.96Å; L188-T192 WeakPolarHBondContact O-CB 3.31Å; L188-T192 WeakPolarHBondContact O-CG2 3.3Å; L188-T192 PolarHBondContact O-N 2.98Å; L188-T192 VanDerWaalsContact O-N 3.1Å; L188-T192 PolarHBondContact O-OG1 2.7Å; L188-C976 HydrophobicContact CD2-CB 4.34Å; L188-L977 HydrophobicContact CB-CD1 4.45Å; L188-L977 HydrophobicContact CD1-CB 4.36Å; L188-L977 HydrophobicContact CD1-CD1 4.29Å; L188-V980 HydrophobicContact CD1-CG2 4.22Å; L188-Y1007 HydrophobicContact CG-CD2 4.43Å; L188-F1010 HydrophobicContact CD2-CD1 3.48Å; L188-F1010 VanDerWaalsContact CD2-CD1 3.48Å; L188-F1010 HydrophobicContact CD2-CD2 3.89Å; L188-F1010 HydrophobicContact CD2-CE1 3.53Å; L188-F1010 HydrophobicContact CD2-CE2 3.93Å; L188-F1010 HydrophobicContact CD2-CG 3.67Å; L188-F1010 HydrophobicContact CD2-CZ 3.76Å |
| 189 | L | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 176.5 | -171.4 | 166.3 | 0 | 0 | 0 | 110.8 | G185 S186 N191 T192 V193 T194 A907 L908 S911 I915 Y1007 | G185-L189 PolarHBondContact O-N 2.95Å; G185-L189 VanDerWaalsContact O-N 3.08Å; S186-L189 WeakPolarHBondContact O-CB 3.5Å; S186-L189 PolarHBondContact O-N 3.08Å; S186-L189 VanDerWaalsContact O-N 3.15Å; L189-N191 PolarHBondContact O-N 3.31Å; L189-T192 PolarHBondContact O-N 3.28Å; L189-T192 PolarHBondContact O-OG1 3.34Å; L189-V193 HydrophobicContact CD2-CB 4.06Å; L189-V193 HydrophobicContact CG-CB 4.41Å; L189-V193 HydrophobicContact CG-CG2 4.33Å; L189-V193 WeakPolarHBondContact O-CB 3.33Å; L189-V193 PolarHBondContact O-N 3.23Å; L189-T194 PolarHBondContact O-N 2.84Å; L189-A907 HydrophobicContact CD1-CB 4.39Å; L189-A907 WeakPolarHBondContact CD1-O 3.09Å; L189-L908 HydrophobicContact CD1-CB 4.32Å; L189-L908 HydrophobicContact CD1-CD1 4.32Å; L189-S911 VanDerWaalsContact CD2-CB 3.46Å; L189-I915 HydrophobicContact CD2-CD1 4.17Å; L189-Y1007 HydrophobicContact CB-CD2 4.49Å; L189-Y1007 HydrophobicContact CB-CE2 3.74Å; L189-Y1007 HydrophobicContact CD1-CE2 4.49Å; L189-Y1007 WeakPolarHBondContact CD1-OH 3.47Å; L189-Y1007 HydrophobicContact CG-CE1 4.4Å; L189-Y1007 HydrophobicContact CG-CE2 4.01Å |
| 190 | V | 95.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | I | π-helix | trans | -62.9 | -43.5 | 179.3 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | S186 T192 T194 A195 D914 C934 P938 | S186-V190 WeakPolarHBondContact O-CG2 3.25Å; S186-V190 PolarHBondContact O-N 3.22Å; V190-T192 PolarHBondContact O-N 2.84Å; V190-T194 VanDerWaalsContact O-CB 3.3Å; V190-T194 WeakPolarHBondContact O-CB 3.38Å; V190-A195 PolarHBondContact O-N 2.93Å; V190-D914 HydrophobicContact CG1-CB 4.27Å; V190-D914 HydrophobicContact CG2-CB 3.73Å; V190-C934 HydrophobicContact CG1-CB 4.16Å; V190-P938 HydrophobicContact CB-CG 3.84Å; V190-P938 HydrophobicContact CG1-CG 3.74Å |
| 191 | N | 96 | Very high | 93.5 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -70 | -16 | 178.1 | -93.3 | -27 | 0 | 0 | 0 | 114.9 | G187 L188 L189 A195 Y218 C934 L977 V980 | G187-N191 WeakPolarHBondContact O-CB 3.43Å; G187-N191 PolarHBondContact O-N 2.93Å; L188-N191 PolarHBondContact O-N 3.1Å; L189-N191 PolarHBondContact O-N 3.31Å; N191-A195 WeakPolarHBondContact O-CB 3.38Å; N191-Y218 WeakPolarHBondContact ND2-CE1 3.36Å; N191-C934 PolarHBondContact OD1-O 3.45Å; N191-C934 VanDerWaalsContact OD1-O 3.1Å; N191-L977 WeakPolarHBondContact ND2-CD1 3.39Å; N191-V980 HydrophobicContact CB-CG1 4.35Å |
| 192 | T | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -111.3 | -68.2 | -176.8 | 53.1 | 0 | 0 | 0 | 0 | 111.1 | L188 L189 V190 G196 V980 L1003 Y1007 | L188-T192 HydrophobicContact CD1-CG2 3.96Å; L188-T192 WeakPolarHBondContact O-CB 3.31Å; L188-T192 WeakPolarHBondContact O-CG2 3.3Å; L188-T192 PolarHBondContact O-N 2.98Å; L188-T192 VanDerWaalsContact O-N 3.1Å; L188-T192 PolarHBondContact O-OG1 2.7Å; L189-T192 PolarHBondContact O-N 3.28Å; L189-T192 PolarHBondContact O-OG1 3.34Å; V190-T192 PolarHBondContact O-N 2.84Å; T192-G196 VanDerWaalsContact O-CA 3.27Å; T192-G196 WeakPolarHBondContact O-CA 3.3Å; T192-G196 PolarHBondContact O-N 3.28Å; T192-V980 HydrophobicContact CG2-CB 4.48Å; T192-V980 HydrophobicContact CG2-CG1 3.92Å; T192-V980 HydrophobicContact CG2-CG2 3.81Å; T192-L1003 WeakPolarHBondContact O-CB 3.29Å; T192-Y1007 WeakPolarHBondContact OG1-CB 3.47Å; T192-Y1007 WeakPolarHBondContact OG1-CD2 3.36Å |
| 193 | V | 96.7 | Very high | 94.7 | Very high | 22 Ų | 22 | 19.9 Ų | 19.9 | 13% | 0.133 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -68.5 | -56 | -177.4 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | L189 G196 L197 Y1007 | L189-V193 HydrophobicContact CD2-CB 4.06Å; L189-V193 HydrophobicContact CG-CB 4.41Å; L189-V193 HydrophobicContact CG-CG2 4.33Å; L189-V193 WeakPolarHBondContact O-CB 3.33Å; L189-V193 PolarHBondContact O-N 3.23Å; V193-G196 PolarHBondContact O-N 3.2Å; V193-L197 HydrophobicContact CG1-CD1 4Å; V193-L197 WeakPolarHBondContact O-CB 3.29Å; V193-L197 VanDerWaalsContact O-CG 3.29Å; V193-L197 WeakPolarHBondContact O-CG 3.47Å; V193-L197 PolarHBondContact O-N 3.47Å; V193-Y1007 HydrophobicContact CG2-CD1 3.35Å; V193-Y1007 HydrophobicContact CG2-CD2 4.26Å; V193-Y1007 HydrophobicContact CG2-CE1 3.89Å; V193-Y1007 HydrophobicContact CG2-CG 3.56Å |
| 194 | T | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -64 | -50.7 | -177.1 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | L189 V190 G196 L197 V198 D914 I915 N918 | L189-T194 PolarHBondContact O-N 2.84Å; V190-T194 VanDerWaalsContact O-CB 3.3Å; V190-T194 WeakPolarHBondContact O-CB 3.38Å; T194-G196 VanDerWaalsContact C-N 3.26Å; T194-G196 PolarHBondContact O-N 3.1Å; T194-L197 PolarHBondContact O-N 2.99Å; T194-V198 WeakPolarHBondContact O-CG2 3.47Å; T194-V198 PolarHBondContact O-N 3.42Å; T194-D914 HydrophobicContact CG2-CB 4.42Å; T194-D914 VanDerWaalsContact CG2-O 3.27Å; T194-D914 WeakPolarHBondContact CG2-O 3.3Å; T194-I915 WeakPolarHBondContact OG1-CG1 3.46Å; T194-N918 HydrophobicContact CG2-CB 3.83Å |
| 195 | A | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.6 | -39.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V190 N191 V198 I199 Y931 C934 L1003 | V190-A195 PolarHBondContact O-N 2.93Å; N191-A195 WeakPolarHBondContact O-CB 3.38Å; A195-V198 PolarHBondContact O-N 2.61Å; A195-I199 WeakPolarHBondContact O-CD1 3.46Å; A195-I199 VanDerWaalsContact O-CG1 3.29Å; A195-I199 WeakPolarHBondContact O-CG1 3.35Å; A195-I199 PolarHBondContact O-N 3.05Å; A195-Y931 HydrophobicContact CB-CD2 4.14Å; A195-Y931 HydrophobicContact CB-CE2 3.86Å; A195-C934 HydrophobicContact CB-CB 3.99Å; A195-L1003 HydrophobicContact CB-CD1 4.35Å |
| 196 | G | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | T192 V193 T194 I199 F200 G1000 | T192-G196 VanDerWaalsContact O-CA 3.27Å; T192-G196 WeakPolarHBondContact O-CA 3.3Å; T192-G196 PolarHBondContact O-N 3.28Å; V193-G196 PolarHBondContact O-N 3.2Å; T194-G196 VanDerWaalsContact C-N 3.26Å; T194-G196 PolarHBondContact O-N 3.1Å; G196-I199 PolarHBondContact O-N 2.94Å; G196-F200 VanDerWaalsContact O-CB 3.26Å; G196-F200 WeakPolarHBondContact O-CB 3.32Å; G196-F200 PolarHBondContact O-N 3.38Å; G196-G1000 WeakPolarHBondContact O-CA 3.21Å |
| 197 | L | 97.6 | Very high | 95 | Very high | 53 Ų | 53 | 27.1 Ų | 27.1 | 28% | 0.277 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 174.6 | -71.7 | 170.3 | 0 | 0 | 0 | 111.5 | V193 T194 I199 F200 L201 I915 C919 I1004 | V193-L197 HydrophobicContact CG1-CD1 4Å; V193-L197 WeakPolarHBondContact O-CB 3.29Å; V193-L197 VanDerWaalsContact O-CG 3.29Å; V193-L197 WeakPolarHBondContact O-CG 3.47Å; V193-L197 PolarHBondContact O-N 3.47Å; T194-L197 PolarHBondContact O-N 2.99Å; L197-I199 PolarHBondContact O-N 3.47Å; L197-F200 PolarHBondContact O-N 3.04Å; L197-L201 WeakPolarHBondContact O-CB 3.29Å; L197-L201 VanDerWaalsContact O-CG 3.25Å; L197-L201 WeakPolarHBondContact O-CG 3.47Å; L197-L201 PolarHBondContact O-N 3.37Å; L197-I915 HydrophobicContact CD1-CG2 3.97Å; L197-C919 VanDerWaalsContact CB-SG 3.54Å; L197-I1004 HydrophobicContact CD2-CD1 4.25Å; L197-I1004 HydrophobicContact CG-CD1 4.42Å |
| 198 | V | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.7 | -48.6 | 175.8 | 167 | 0 | 0 | 0 | 0 | 111.4 | T194 A195 F200 K202 F204 N918 A922 P927 A930 | T194-V198 WeakPolarHBondContact O-CG2 3.47Å; T194-V198 PolarHBondContact O-N 3.42Å; A195-V198 PolarHBondContact O-N 2.61Å; V198-F200 VanDerWaalsContact C-N 3.34Å; V198-F200 PolarHBondContact O-N 2.89Å; V198-K202 PolarHBondContact O-N 2.79Å; V198-K202 VanDerWaalsContact O-N 3.16Å; V198-F204 HydrophobicContact CG1-CE1 4.33Å; V198-N918 HydrophobicContact CG2-CB 3.88Å; V198-A922 HydrophobicContact CB-CB 4.36Å; V198-A922 HydrophobicContact CG1-CB 3.89Å; V198-A922 HydrophobicContact CG2-CB 4.26Å; V198-P927 HydrophobicContact CG1-CB 4.38Å; V198-A930 HydrophobicContact CG1-CB 3.97Å; V198-A930 HydrophobicContact CG2-CB 4.06Å |
| 199 | I | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -38.7 | 178.2 | -68.1 | 160.3 | 0 | 0 | 0 | 111.5 | A195 G196 L197 F204 Y931 F995 Y996 Y999 L1003 | A195-I199 WeakPolarHBondContact O-CD1 3.46Å; A195-I199 VanDerWaalsContact O-CG1 3.29Å; A195-I199 WeakPolarHBondContact O-CG1 3.35Å; A195-I199 PolarHBondContact O-N 3.05Å; G196-I199 PolarHBondContact O-N 2.94Å; L197-I199 PolarHBondContact O-N 3.47Å; I199-F204 HydrophobicContact CG1-CE1 4.06Å; I199-Y931 HydrophobicContact CD1-CD2 3.98Å; I199-Y931 HydrophobicContact CD1-CE2 3.5Å; I199-Y931 VanDerWaalsContact CD1-CE2 3.5Å; I199-Y931 HydrophobicContact CG1-CD2 4.02Å; I199-Y931 HydrophobicContact CG1-CE2 4.06Å; I199-F995 HydrophobicContact CD1-CB 4.42Å; I199-F995 HydrophobicContact CD1-CD1 4.48Å; I199-F995 HydrophobicContact CD1-CG 4.34Å; I199-F995 HydrophobicContact CG1-CB 4.19Å; I199-F995 HydrophobicContact CG2-CB 4.05Å; I199-Y996 WeakPolarHBondContact CG2-O 3.49Å; I199-Y999 HydrophobicContact CD1-CD1 3.75Å; I199-Y999 HydrophobicContact CD1-CE1 4.11Å; I199-L1003 HydrophobicContact CD1-CD1 4.06Å |
| 200 | F | 97 | Very high | 94.5 | Very high | 97 Ų | 97 | 42.9 Ų | 42.9 | 43% | 0.425 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66 | -45.6 | 179.8 | 179.8 | -97.5 | 0 | 0 | 0 | 111.7 | G196 L197 V198 R997 I1001 | G196-F200 VanDerWaalsContact O-CB 3.26Å; G196-F200 WeakPolarHBondContact O-CB 3.32Å; G196-F200 PolarHBondContact O-N 3.38Å; L197-F200 PolarHBondContact O-N 3.04Å; V198-F200 VanDerWaalsContact C-N 3.34Å; V198-F200 PolarHBondContact O-N 2.89Å; F200-R997 HydrophobicContact CD2-CB 4.47Å; F200-R997 WeakPolarHBondContact O-CD 3.45Å; F200-R997 WeakPolarHBondContact O-CG 3.46Å; F200-R997 PolarHBondContact O-NE 2.87Å; F200-I1001 HydrophobicContact CD2-CD1 4.24Å; F200-I1001 HydrophobicContact CD2-CG1 3.95Å; F200-I1001 HydrophobicContact CE2-CD1 4.09Å; F200-I1001 HydrophobicContact CE2-CG1 4.23Å |
| 201 | L | 96.5 | Very high | 94.4 | Very high | 78 Ų | 78 | 43 Ų | 43 | 41% | 0.408 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.2 | -57.3 | 179.5 | -71.6 | 170.4 | 0 | 0 | 0 | 111.3 | L197 C919 | L197-L201 WeakPolarHBondContact O-CB 3.29Å; L197-L201 VanDerWaalsContact O-CG 3.25Å; L197-L201 WeakPolarHBondContact O-CG 3.47Å; L197-L201 PolarHBondContact O-N 3.37Å; L201-C919 HydrophobicContact CD1-CB 3.7Å |
| 202 | K | 94 | Very high | 94.3 | Very high | 87 Ų | 87 | 46.1 Ų | 46.1 | 38% | 0.378 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -133.6 | 99.8 | -177.5 | -168.8 | 170.2 | 177.5 | -177.5 | 0 | 110.5 | V198 F204 A922 G925 P927 | V198-K202 PolarHBondContact O-N 2.79Å; V198-K202 VanDerWaalsContact O-N 3.16Å; K202-F204 VanDerWaalsContact O-CD1 3.31Å; K202-F204 WeakPolarHBondContact O-CD1 3.27Å; K202-A922 WeakPolarHBondContact CD-O 3.45Å; K202-G925 PolarHBondContact NZ-O 3.24Å; K202-P927 HydrophobicContact CB-CB 4.24Å; K202-P927 HydrophobicContact CB-CG 4.36Å; K202-P927 HydrophobicContact CD-CG 3.94Å; K202-P927 HydrophobicContact CG-CB 4.46Å; K202-P927 HydrophobicContact CG-CG 4.04Å |
| 203 | P | 94.3 | Very high | 94.2 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | trans | -65.2 | 143.2 | 175 | 28.4 | -34.6 | 0 | 0 | 0 | 110.5 | F995 R997 | P203-F995 WeakPolarHBondContact CB-O 3.48Å; P203-R997 HydrophobicContact CB-CG 4.29Å; P203-R997 HydrophobicContact CG-CG 4.13Å | ||
| 204 | F | 92.9 | Very high | 94.1 | Very high | 17 Ų | 17 | 47 Ų | 47 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 163.8 | -171.3 | 66.8 | -79.4 | 0 | 0 | 0 | 112.8 | V198 I199 K202 I206 P927 R928 Y931 F995 | V198-F204 HydrophobicContact CG1-CE1 4.33Å; I199-F204 HydrophobicContact CG1-CE1 4.06Å; K202-F204 VanDerWaalsContact O-CD1 3.31Å; K202-F204 WeakPolarHBondContact O-CD1 3.27Å; F204-I206 HydrophobicContact CD2-CB 4.47Å; F204-I206 HydrophobicContact CE2-CB 3.97Å; F204-I206 HydrophobicContact CE2-CD1 4.23Å; F204-I206 HydrophobicContact CE2-CG1 4.18Å; F204-P927 HydrophobicContact CB-CB 4.27Å; F204-P927 HydrophobicContact CB-CG 3.69Å; F204-P927 HydrophobicContact CD1-CB 3.62Å; F204-P927 HydrophobicContact CD1-CG 4.02Å; F204-P927 HydrophobicContact CE1-CB 4.1Å; F204-P927 HydrophobicContact CG-CB 3.93Å; F204-P927 HydrophobicContact CG-CG 3.85Å; F204-R928 HydrophobicContact CD2-CG 3.74Å; F204-R928 HydrophobicContact CE2-CG 4.29Å; F204-Y931 HydrophobicContact CE1-CD2 4.47Å; F204-Y931 HydrophobicContact CE1-CG 4.45Å; F204-Y931 HydrophobicContact CE2-CG 4.44Å; F204-Y931 HydrophobicContact CZ-CD1 4.19Å; F204-Y931 AromaticContact CZ-CD2 3.97Å; F204-Y931 HydrophobicContact CZ-CD2 3.97Å; F204-Y931 AromaticContact CZ-CG 3.59Å; F204-Y931 HydrophobicContact CZ-CG 3.59Å; F204-F995 HydrophobicContact CE2-CD2 4.41Å; F204-F995 HydrophobicContact CZ-CD2 4.13Å; F204-F995 PolarHBondContact O-N 3.19Å |
| 205 | K | 91.3 | Very high | 94.1 | Very high | 108 Ų | 108 | 47 Ų | 47 | 47% | 0.47 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 123.3 | 171.7 | -167.3 | -176.5 | -177.2 | -175.3 | 0 | 109.8 | F993 Q994 | K205-F993 CarbonylContact C-O 2.87Å; K205-F993 WeakPolarHBondContact CA-O 3.23Å; K205-Q994 VanDerWaalsContact CA-OE1 3.3Å; K205-Q994 VanDerWaalsContact CB-OE1 3.24Å; K205-Q994 HydrophobicContact CG-CG 4.43Å |
| 206 | I | 91.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -89.5 | 146.5 | 178.4 | -160.5 | 162.1 | 0 | 0 | 0 | 111.8 | F204 R208 F211 Y931 F993 F995 | F204-I206 HydrophobicContact CD2-CB 4.47Å; F204-I206 HydrophobicContact CE2-CB 3.97Å; F204-I206 HydrophobicContact CE2-CD1 4.23Å; F204-I206 HydrophobicContact CE2-CG1 4.18Å; I206-R208 PolarHBondContact O-N 3.46Å; I206-F211 HydrophobicContact CD1-CB 3.79Å; I206-F211 HydrophobicContact CD1-CD2 3.35Å; I206-F211 HydrophobicContact CD1-CE2 4.13Å; I206-F211 HydrophobicContact CD1-CG 3.73Å; I206-F211 HydrophobicContact CG1-CB 3.89Å; I206-F211 HydrophobicContact CG1-CD2 4.34Å; I206-F211 HydrophobicContact CG1-CG 4.23Å; I206-F211 HydrophobicContact CG2-CB 4.46Å; I206-F211 HydrophobicContact CG2-CD1 4.48Å; I206-F211 HydrophobicContact CG2-CG 4.3Å; I206-Y931 HydrophobicContact CD1-CD1 3.39Å; I206-Y931 HydrophobicContact CD1-CE1 3.57Å; I206-Y931 HydrophobicContact CD1-CG 4.44Å; I206-F993 HydrophobicContact CG2-CB 3.77Å; I206-F993 HydrophobicContact CG2-CD1 3.81Å; I206-F993 HydrophobicContact CG2-CG 4.3Å; I206-F993 PolarHBondContact N-O 3.07Å; I206-F995 HydrophobicContact CB-CD2 4.29Å; I206-F995 HydrophobicContact CB-CE2 4.11Å; I206-F995 HydrophobicContact CD1-CE2 3.93Å; I206-F995 HydrophobicContact CG2-CD2 4.23Å; I206-F995 HydrophobicContact CG2-CE2 3.78Å |
| 207 | S | 87.2 | Confident | 94.1 | Very high | 35 Ų | 35 | 52 Ų | 52 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 123.4 | 175.7 | 56.9 | 0 | 0 | 0 | 0 | 111.3 | N143 R209 F211 | N143-S207 PolarHBondContact ND2-OG 3.32Å; S207-R209 PolarHBondContact O-N 3.28Å; S207-F211 VanDerWaalsContact O-CB 3.24Å; S207-F211 WeakPolarHBondContact O-CB 3.44Å; S207-F211 PolarHBondContact O-N 2.97Å |
| 208 | R | 90.8 | Very high | 94.1 | Very high | 153 Ų | 153 | 49.6 Ų | 49.6 | 58% | 0.577 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -58.1 | -53.4 | -169.6 | -56.6 | -177.1 | 135.2 | -177.7 | -5.5 | 115.2 | I206 L212 F993 | I206-R208 PolarHBondContact O-N 3.46Å; R208-L212 WeakPolarHBondContact O-CB 3.46Å; R208-L212 PolarHBondContact O-N 2.99Å; R208-F993 HydrophobicContact CB-CD1 4.12Å; R208-F993 HydrophobicContact CB-CD2 4.43Å; R208-F993 HydrophobicContact CB-CE1 3.83Å; R208-F993 HydrophobicContact CB-CE2 4.17Å; R208-F993 HydrophobicContact CB-CG 4.4Å; R208-F993 HydrophobicContact CB-CZ 3.85Å; R208-F993 HydrophobicContact CG-CB 4.32Å; R208-F993 HydrophobicContact CG-CD1 3.89Å; R208-F993 HydrophobicContact CG-CD2 3.59Å; R208-F993 HydrophobicContact CG-CE1 4Å; R208-F993 HydrophobicContact CG-CE2 3.71Å; R208-F993 HydrophobicContact CG-CG 3.68Å; R208-F993 HydrophobicContact CG-CZ 3.9Å; R208-F993 VanDerWaalsContact NE-CE2 3.27Å |
| 209 | R | 90.3 | Very high | 94.1 | Very high | 151 Ų | 151 | 51.5 Ų | 51.5 | 57% | 0.57 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -71.5 | -49.8 | -172.8 | -64.7 | -179.9 | 177.5 | 169 | -0.7 | 112.4 | S207 K213 | S207-R209 PolarHBondContact O-N 3.28Å; R209-K213 VanDerWaalsContact O-CB 3.28Å; R209-K213 WeakPolarHBondContact O-CB 3.21Å; R209-K213 PolarHBondContact O-N 3.06Å |
| 210 | P | 90.8 | Very high | 94.1 | Very high | 27 Ų | 27 | 55.3 Ų | 55.3 | 18% | 0.175 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -50.6 | 178.4 | -25.4 | 37.6 | 0 | 0 | 0 | 111.7 | N143 L212 K213 D214 | N143-P210 HydrophobicContact CB-CB 4.32Å; P210-L212 PolarHBondContact O-N 3.08Å; P210-K213 WeakPolarHBondContact O-CB 3.5Å; P210-K213 PolarHBondContact O-N 3.25Å; P210-K213 VanDerWaalsContact O-N 3.12Å; P210-D214 PolarHBondContact O-N 2.91Å |
| 211 | F | 94 | Very high | 94.1 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.9 | -53.1 | 178.8 | 167.6 | -102.5 | 0 | 0 | 0 | 112.9 | I206 S207 K213 D214 T215 Y931 L935 N984 A988 F993 F995 | I206-F211 HydrophobicContact CD1-CB 3.79Å; I206-F211 HydrophobicContact CD1-CD2 3.35Å; I206-F211 HydrophobicContact CD1-CE2 4.13Å; I206-F211 HydrophobicContact CD1-CG 3.73Å; I206-F211 HydrophobicContact CG1-CB 3.89Å; I206-F211 HydrophobicContact CG1-CD2 4.34Å; I206-F211 HydrophobicContact CG1-CG 4.23Å; I206-F211 HydrophobicContact CG2-CB 4.46Å; I206-F211 HydrophobicContact CG2-CD1 4.48Å; I206-F211 HydrophobicContact CG2-CG 4.3Å; S207-F211 VanDerWaalsContact O-CB 3.24Å; S207-F211 WeakPolarHBondContact O-CB 3.44Å; S207-F211 PolarHBondContact O-N 2.97Å; F211-K213 VanDerWaalsContact C-N 3.26Å; F211-K213 PolarHBondContact O-N 3.06Å; F211-D214 PolarHBondContact O-N 3.31Å; F211-T215 WeakPolarHBondContact CE2-OG1 3.2Å; F211-T215 WeakPolarHBondContact O-CB 3.41Å; F211-T215 PolarHBondContact O-N 3.1Å; F211-T215 PolarHBondContact O-OG1 2.96Å; F211-Y931 HydrophobicContact CD2-CE1 4.01Å; F211-Y931 AromaticContact CE2-CE1 3.78Å; F211-Y931 HydrophobicContact CE2-CE1 3.78Å; F211-L935 HydrophobicContact CD2-CD1 3.79Å; F211-L935 HydrophobicContact CE2-CD1 4.02Å; F211-N984 HydrophobicContact CZ-CB 4.18Å; F211-A988 HydrophobicContact CD1-CB 4.19Å; F211-A988 HydrophobicContact CE1-CB 3.39Å; F211-A988 HydrophobicContact CZ-CB 3.93Å; F211-F993 HydrophobicContact CD1-CD1 4.16Å; F211-F993 AromaticContact CD1-CE1 3.96Å; F211-F993 HydrophobicContact CD1-CE1 3.96Å; F211-F993 HydrophobicContact CE1-CE1 4.47Å; F211-F995 HydrophobicContact CE2-CZ 4.3Å; F211-F995 HydrophobicContact CZ-CZ 4.17Å |
| 212 | L | 94.6 | Very high | 94.2 | Very high | 66 Ų | 66 | 47 Ų | 47 | 35% | 0.346 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.5 | -39.4 | -178.8 | -175.4 | 66.3 | 0 | 0 | 0 | 111.1 | R208 P210 I216 I985 | R208-L212 WeakPolarHBondContact O-CB 3.46Å; R208-L212 PolarHBondContact O-N 2.99Å; P210-L212 PolarHBondContact O-N 3.08Å; L212-I216 HydrophobicContact CD1-CD1 3.87Å; L212-I216 HydrophobicContact CD1-CG1 4.27Å; L212-I216 HydrophobicContact CD2-CD1 4.37Å; L212-I216 HydrophobicContact CG-CD1 3.69Å; L212-I216 HydrophobicContact CG-CG1 4.43Å; L212-I216 WeakPolarHBondContact O-CB 3.1Å; L212-I216 WeakPolarHBondContact O-CD1 3.37Å; L212-I216 WeakPolarHBondContact O-CG1 3.4Å; L212-I216 PolarHBondContact O-N 3.16Å; L212-I985 HydrophobicContact CD1-CD1 4.22Å; L212-I985 HydrophobicContact CD1-CG1 4.35Å; L212-I985 HydrophobicContact CD1-CG2 4.16Å |
| 213 | K | 94.3 | Very high | 94.3 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -54.5 | 175.7 | -172.9 | -128 | 67.1 | -174.7 | 0 | 110.3 | R209 P210 F211 T215 I216 F217 T253 | R209-K213 VanDerWaalsContact O-CB 3.28Å; R209-K213 WeakPolarHBondContact O-CB 3.21Å; R209-K213 PolarHBondContact O-N 3.06Å; P210-K213 WeakPolarHBondContact O-CB 3.5Å; P210-K213 PolarHBondContact O-N 3.25Å; P210-K213 VanDerWaalsContact O-N 3.12Å; F211-K213 VanDerWaalsContact C-N 3.26Å; F211-K213 PolarHBondContact O-N 3.06Å; K213-T215 PolarHBondContact O-N 3.2Å; K213-I216 PolarHBondContact O-N 3.47Å; K213-F217 HydrophobicContact CD-CD2 4.28Å; K213-F217 HydrophobicContact CD-CE2 4.14Å; K213-F217 HydrophobicContact CG-CD2 3.88Å; K213-F217 HydrophobicContact CG-CE2 3.77Å; K213-F217 VanDerWaalsContact O-CD2 3.31Å; K213-F217 WeakPolarHBondContact O-CD2 3.45Å; K213-F217 PolarHBondContact O-N 3.43Å; K213-T253 PolarHBondContact NZ-OG1 3.48Å |
| 214 | D | 94.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.8 | -47.6 | -178.2 | -62 | -35.3 | 0 | 0 | 0 | 111.6 | P210 F211 I216 F217 Y218 Y249 L935 | P210-D214 PolarHBondContact O-N 2.91Å; F211-D214 PolarHBondContact O-N 3.31Å; D214-I216 PolarHBondContact O-N 3.12Å; D214-F217 PolarHBondContact O-N 3.23Å; D214-Y218 WeakPolarHBondContact O-CB 3.5Å; D214-Y218 PolarHBondContact O-N 3.35Å; D214-Y249 PolarHBondContact OD1-OH 2.98Å; D214-L935 HydrophobicContact CB-CD1 4.3Å |
| 215 | T | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.5 | -37 | 178.6 | -48.9 | 0 | 0 | 0 | 0 | 112.5 | F211 K213 Y218 M219 L981 I985 | F211-T215 WeakPolarHBondContact CE2-OG1 3.2Å; F211-T215 WeakPolarHBondContact O-CB 3.41Å; F211-T215 PolarHBondContact O-N 3.1Å; F211-T215 PolarHBondContact O-OG1 2.96Å; K213-T215 PolarHBondContact O-N 3.2Å; T215-Y218 PolarHBondContact O-N 3.48Å; T215-M219 WeakPolarHBondContact O-CB 3.31Å; T215-M219 VanDerWaalsContact O-CG 3.28Å; T215-M219 WeakPolarHBondContact O-CG 3.33Å; T215-M219 PolarHBondContact O-N 3.31Å; T215-L981 HydrophobicContact CG2-CB 4.32Å; T215-L981 HydrophobicContact CG2-CD2 4.08Å; T215-I985 HydrophobicContact CG2-CD1 3.85Å; T215-I985 HydrophobicContact CG2-CG1 3.71Å |
| 216 | I | 96.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.3 | -45.9 | 177 | -72.4 | 169.4 | 0 | 0 | 0 | 111.4 | L212 K213 D214 Y218 M219 I220 | L212-I216 HydrophobicContact CD1-CD1 3.87Å; L212-I216 HydrophobicContact CD1-CG1 4.27Å; L212-I216 HydrophobicContact CD2-CD1 4.37Å; L212-I216 HydrophobicContact CG-CD1 3.69Å; L212-I216 HydrophobicContact CG-CG1 4.43Å; L212-I216 WeakPolarHBondContact O-CB 3.1Å; L212-I216 WeakPolarHBondContact O-CD1 3.37Å; L212-I216 WeakPolarHBondContact O-CG1 3.4Å; L212-I216 PolarHBondContact O-N 3.16Å; K213-I216 PolarHBondContact O-N 3.47Å; D214-I216 PolarHBondContact O-N 3.12Å; I216-Y218 PolarHBondContact O-N 2.93Å; I216-M219 PolarHBondContact O-N 3.03Å; I216-I220 HydrophobicContact CG2-CD1 3.86Å; I216-I220 HydrophobicContact CG2-CG1 4.44Å; I216-I220 WeakPolarHBondContact O-CG1 3.2Å; I216-I220 PolarHBondContact O-N 3.41Å |
| 217 | F | 97.3 | Very high | 94.5 | Very high | 35 Ų | 35 | 43.6 Ų | 43.6 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.8 | -39.8 | 175.7 | -89.1 | -86.2 | 0 | 0 | 0 | 110.9 | K213 D214 I220 A221 F245 V248 Y249 T252 L939 | K213-F217 HydrophobicContact CD-CD2 4.28Å; K213-F217 HydrophobicContact CD-CE2 4.14Å; K213-F217 HydrophobicContact CG-CD2 3.88Å; K213-F217 HydrophobicContact CG-CE2 3.77Å; K213-F217 VanDerWaalsContact O-CD2 3.31Å; K213-F217 WeakPolarHBondContact O-CD2 3.45Å; K213-F217 PolarHBondContact O-N 3.43Å; D214-F217 PolarHBondContact O-N 3.23Å; F217-I220 PolarHBondContact O-N 3.38Å; F217-A221 PolarHBondContact O-N 3Å; F217-F245 HydrophobicContact CD1-CE1 4.12Å; F217-F245 AromaticContact CD1-CE2 3.98Å; F217-F245 HydrophobicContact CD1-CE2 3.98Å; F217-F245 AromaticContact CD1-CZ 3.52Å; F217-F245 HydrophobicContact CD1-CZ 3.52Å; F217-F245 HydrophobicContact CE1-CE2 4.12Å; F217-F245 HydrophobicContact CE1-CZ 4.13Å; F217-F245 HydrophobicContact CG-CZ 4.49Å; F217-V248 HydrophobicContact CE1-CG1 4.46Å; F217-Y249 HydrophobicContact CB-CD2 3.87Å; F217-Y249 HydrophobicContact CB-CE2 4.28Å; F217-Y249 AromaticContact CD1-CD2 3.98Å; F217-Y249 HydrophobicContact CD1-CD2 3.98Å; F217-Y249 HydrophobicContact CD2-CD2 4.13Å; F217-Y249 AromaticContact CG-CD2 3.73Å; F217-Y249 HydrophobicContact CG-CD2 3.73Å; F217-Y249 HydrophobicContact CG-CE2 4.46Å; F217-T252 HydrophobicContact CZ-CG2 4.21Å; F217-T252 WeakPolarHBondContact CZ-OG1 3.24Å; F217-L939 HydrophobicContact CB-CD2 4.26Å |
| 218 | Y | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68 | -42.6 | 176.6 | -166.6 | -170.9 | 0 | 0 | 0 | 113.1 | N191 D214 T215 I216 I220 A221 V222 P938 L939 L942 L981 | N191-Y218 WeakPolarHBondContact ND2-CE1 3.36Å; D214-Y218 WeakPolarHBondContact O-CB 3.5Å; D214-Y218 PolarHBondContact O-N 3.35Å; T215-Y218 PolarHBondContact O-N 3.48Å; I216-Y218 PolarHBondContact O-N 2.93Å; Y218-I220 VanDerWaalsContact C-N 3.29Å; Y218-I220 PolarHBondContact O-N 2.93Å; Y218-A221 PolarHBondContact O-N 2.94Å; Y218-V222 HydrophobicContact CD2-CG2 3.58Å; Y218-V222 HydrophobicContact CE2-CG2 3.3Å; Y218-V222 WeakPolarHBondContact O-CG2 3.38Å; Y218-V222 PolarHBondContact O-N 3.09Å; Y218-P938 HydrophobicContact CE1-CB 3.78Å; Y218-P938 HydrophobicContact CE2-CB 4.49Å; Y218-P938 WeakPolarHBondContact OH-CB 3.49Å; Y218-L939 HydrophobicContact CD2-CB 4.19Å; Y218-L939 HydrophobicContact CD2-CD1 3.94Å; Y218-L939 HydrophobicContact CG-CB 4.23Å; Y218-L939 HydrophobicContact CG-CD1 4.34Å; Y218-L942 HydrophobicContact CE2-CD2 4.11Å; Y218-L981 HydrophobicContact CD1-CD1 4.04Å; Y218-L981 HydrophobicContact CD1-CD2 3.67Å; Y218-L981 HydrophobicContact CE1-CD1 4.37Å; Y218-L981 HydrophobicContact CE1-CD2 4.09Å; Y218-L981 HydrophobicContact CG-CD1 4.1Å; Y218-L981 HydrophobicContact CG-CD2 4.4Å |
| 219 | M | 97.7 | Very high | 94.6 | Very high | 40 Ų | 40 | 34.8 Ų | 34.8 | 20% | 0.197 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.1 | -41.5 | 172.9 | -76.7 | -69.3 | -76 | 0 | 0 | 112.5 | T215 I216 S223 L978 L981 T982 | T215-M219 WeakPolarHBondContact O-CB 3.31Å; T215-M219 VanDerWaalsContact O-CG 3.28Å; T215-M219 WeakPolarHBondContact O-CG 3.33Å; T215-M219 PolarHBondContact O-N 3.31Å; I216-M219 PolarHBondContact O-N 3.03Å; M219-S223 VanDerWaalsContact O-CB 3.27Å; M219-S223 WeakPolarHBondContact O-CB 3.4Å; M219-S223 PolarHBondContact O-N 3.49Å; M219-S223 PolarHBondContact O-OG 3.1Å; M219-L978 HydrophobicContact CE-CB 4.37Å; M219-L978 HydrophobicContact CE-CD2 3.71Å; M219-L978 HydrophobicContact SD-CB 4.48Å; M219-L978 HydrophobicContact SD-CD2 3.53Å; M219-L978 VanDerWaalsContact SD-CD2 3.53Å; M219-L981 HydrophobicContact CG-CB 3.9Å; M219-L981 HydrophobicContact CG-CD1 4.06Å; M219-L981 HydrophobicContact SD-CB 3.21Å; M219-L981 WeakPolarHBondContact SD-CB 3.45Å; M219-L981 HydrophobicContact SD-CD1 3.56Å; M219-L981 VanDerWaalsContact SD-CD1 3.56Å; M219-L981 HydrophobicContact SD-CG 4.02Å; M219-T982 WeakPolarHBondContact CE-OG1 3.41Å |
| 220 | I | 97.9 | Very high | 94.5 | Very high | 80 Ų | 80 | 33.8 Ų | 33.8 | 41% | 0.41 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.3 | -46.3 | 176.5 | -66.9 | 166.2 | 0 | 0 | 0 | 110.4 | I216 F217 Y218 S223 W224 F245 | I216-I220 HydrophobicContact CG2-CD1 3.86Å; I216-I220 HydrophobicContact CG2-CG1 4.44Å; I216-I220 WeakPolarHBondContact O-CG1 3.2Å; I216-I220 PolarHBondContact O-N 3.41Å; F217-I220 PolarHBondContact O-N 3.38Å; Y218-I220 VanDerWaalsContact C-N 3.29Å; Y218-I220 PolarHBondContact O-N 2.93Å; I220-S223 PolarHBondContact O-N 3.25Å; I220-W224 WeakPolarHBondContact O-CB 3.46Å; I220-W224 PolarHBondContact O-N 3.48Å; I220-F245 HydrophobicContact CB-CZ 3.97Å; I220-F245 HydrophobicContact CG2-CE1 4.32Å; I220-F245 HydrophobicContact CG2-CE2 4.05Å; I220-F245 HydrophobicContact CG2-CZ 3.58Å |
| 221 | A | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F217 Y218 S223 W224 A225 F245 L939 L942 L943 | F217-A221 PolarHBondContact O-N 3Å; Y218-A221 PolarHBondContact O-N 2.94Å; A221-S223 VanDerWaalsContact C-N 3.35Å; A221-S223 PolarHBondContact O-N 2.78Å; A221-W224 PolarHBondContact O-N 3.34Å; A221-A225 WeakPolarHBondContact O-CB 3.17Å; A221-A225 PolarHBondContact O-N 2.73Å; A221-F245 HydrophobicContact CB-CD1 4.48Å; A221-F245 HydrophobicContact CB-CE1 4.01Å; A221-L939 HydrophobicContact CB-CD1 3.75Å; A221-L942 HydrophobicContact CB-CD2 3.78Å; A221-L943 HydrophobicContact CB-CD2 3.83Å; A221-L943 HydrophobicContact CB-CG 4.37Å |
| 222 | V | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -40.2 | 178.6 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | L184 Y218 A225 A226 L942 F974 L977 L978 L981 | L184-V222 HydrophobicContact CD2-CG2 4.4Å; Y218-V222 HydrophobicContact CD2-CG2 3.58Å; Y218-V222 HydrophobicContact CE2-CG2 3.3Å; Y218-V222 WeakPolarHBondContact O-CG2 3.38Å; Y218-V222 PolarHBondContact O-N 3.09Å; V222-A225 PolarHBondContact O-N 3Å; V222-A226 WeakPolarHBondContact O-CB 3.4Å; V222-A226 PolarHBondContact O-N 3.21Å; V222-L942 HydrophobicContact CG2-CD2 3.95Å; V222-F974 HydrophobicContact CG1-CD1 3.9Å; V222-F974 HydrophobicContact CG1-CE1 4.41Å; V222-L977 HydrophobicContact CB-CD2 4.47Å; V222-L977 HydrophobicContact CG1-CD2 3.92Å; V222-L977 HydrophobicContact CG1-CG 4.3Å; V222-L977 HydrophobicContact CG2-CD2 3.62Å; V222-L977 HydrophobicContact CG2-CG 4.24Å; V222-L978 HydrophobicContact CB-CD2 3.96Å; V222-L978 HydrophobicContact CG1-CD1 4.45Å; V222-L978 HydrophobicContact CG1-CD2 3.68Å; V222-L978 HydrophobicContact CG1-CG 3.77Å; V222-L981 HydrophobicContact CG2-CD1 4.32Å |
| 223 | S | 96.1 | Very high | 93.8 | Very high | 55 Ų | 55 | 42.8 Ų | 42.8 | 39% | 0.385 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.2 | -38.1 | 177.2 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | M219 I220 A221 A226 S227 | M219-S223 VanDerWaalsContact O-CB 3.27Å; M219-S223 WeakPolarHBondContact O-CB 3.4Å; M219-S223 PolarHBondContact O-N 3.49Å; M219-S223 PolarHBondContact O-OG 3.1Å; I220-S223 PolarHBondContact O-N 3.25Å; A221-S223 VanDerWaalsContact C-N 3.35Å; A221-S223 PolarHBondContact O-N 2.78Å; S223-A226 PolarHBondContact O-N 3.4Å; S223-S227 PolarHBondContact O-N 3.44Å |
| 224 | W | 96.3 | Very high | 93.6 | Very high | 78 Ų | 78 | 41.2 Ų | 41.2 | 30% | 0.295 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.2 | -45.5 | 174 | -170.7 | -4.2 | 0 | 0 | 0 | 110.9 | I220 A221 A226 S227 I228 D238 F242 F245 | I220-W224 WeakPolarHBondContact O-CB 3.46Å; I220-W224 PolarHBondContact O-N 3.48Å; A221-W224 PolarHBondContact O-N 3.34Å; W224-A226 VanDerWaalsContact C-N 3.3Å; W224-A226 PolarHBondContact O-N 2.72Å; W224-S227 WeakPolarHBondContact O-CB 3.33Å; W224-S227 PolarHBondContact O-N 3.39Å; W224-S227 VanDerWaalsContact O-N 3.11Å; W224-I228 WeakPolarHBondContact O-CG1 3.41Å; W224-I228 PolarHBondContact O-N 3.15Å; W224-D238 PolarHBondContact NE1-OD1 3.32Å; W224-F242 HydrophobicContact CB-CE1 4.34Å; W224-F242 HydrophobicContact CD2-CE1 4.17Å; W224-F242 HydrophobicContact CE3-CD1 4.42Å; W224-F242 HydrophobicContact CE3-CE1 4.39Å; W224-F242 HydrophobicContact CG-CE1 4.16Å; W224-F245 HydrophobicContact CZ3-CB 4.12Å; W224-F245 HydrophobicContact CZ3-CG 4.34Å |
| 225 | A | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -39.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A221 V222 I228 L229 F242 L942 F974 | A221-A225 WeakPolarHBondContact O-CB 3.17Å; A221-A225 PolarHBondContact O-N 2.73Å; V222-A225 PolarHBondContact O-N 3Å; A225-I228 PolarHBondContact O-N 3.11Å; A225-L229 PolarHBondContact O-N 3.04Å; A225-F242 HydrophobicContact CB-CZ 3.99Å; A225-L942 HydrophobicContact CB-CD1 4.16Å; A225-F974 HydrophobicContact CB-CE1 3.68Å; A225-F974 HydrophobicContact CB-CZ 4.05Å |
| 226 | A | 92.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V222 S223 W224 I228 L229 I230 F974 | V222-A226 WeakPolarHBondContact O-CB 3.4Å; V222-A226 PolarHBondContact O-N 3.21Å; S223-A226 PolarHBondContact O-N 3.4Å; W224-A226 VanDerWaalsContact C-N 3.3Å; W224-A226 PolarHBondContact O-N 2.72Å; A226-I228 VanDerWaalsContact C-N 3.32Å; A226-I228 PolarHBondContact O-N 3.18Å; A226-L229 WeakPolarHBondContact O-CB 3.41Å; A226-L229 PolarHBondContact O-N 3.42Å; A226-I230 WeakPolarHBondContact O-CG1 3.2Å; A226-I230 PolarHBondContact O-N 2.97Å; A226-F974 HydrophobicContact CB-CD1 3.6Å; A226-F974 HydrophobicContact CB-CE1 3.9Å; A226-F974 HydrophobicContact CB-CG 4.18Å; A226-F974 VanDerWaalsContact N-CE1 3.25Å |
| 227 | S | 92.3 | Very high | 93.2 | Very high | 59 Ų | 59 | 50.2 Ų | 50.2 | 41% | 0.413 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.4 | -36.6 | 175.6 | 178.9 | 0 | 0 | 0 | 0 | 112.6 | S223 W224 R231 | S223-S227 PolarHBondContact O-N 3.44Å; W224-S227 WeakPolarHBondContact O-CB 3.33Å; W224-S227 PolarHBondContact O-N 3.39Å; W224-S227 VanDerWaalsContact O-N 3.11Å; S227-R231 WeakPolarHBondContact O-CG 3.11Å; S227-R231 PolarHBondContact O-N 2.89Å |
| 228 | I | 91 | Very high | 93 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 172.4 | -68.4 | 159.3 | 0 | 0 | 0 | 110.5 | W224 A225 A226 I230 R231 R232 I234 D238 F242 L964 | W224-I228 WeakPolarHBondContact O-CG1 3.41Å; W224-I228 PolarHBondContact O-N 3.15Å; A225-I228 PolarHBondContact O-N 3.11Å; A226-I228 VanDerWaalsContact C-N 3.32Å; A226-I228 PolarHBondContact O-N 3.18Å; I228-I230 PolarHBondContact O-N 3.49Å; I228-R231 WeakPolarHBondContact O-CB 3.42Å; I228-R231 PolarHBondContact O-N 3.24Å; I228-R231 VanDerWaalsContact O-N 3.13Å; I228-R232 PolarHBondContact O-N 3.23Å; I228-I234 HydrophobicContact CG2-CB 3.69Å; I228-I234 HydrophobicContact CG2-CD1 4.22Å; I228-I234 HydrophobicContact CG2-CG1 3.94Å; I228-D238 HydrophobicContact CD1-CB 3.94Å; I228-D238 HydrophobicContact CG1-CB 4.3Å; I228-F242 HydrophobicContact CD1-CE1 4.38Å; I228-F242 HydrophobicContact CD1-CE2 3.65Å; I228-F242 HydrophobicContact CD1-CZ 3.46Å; I228-F242 VanDerWaalsContact CD1-CZ 3.46Å; I228-L964 HydrophobicContact CG2-CD2 4.23Å |
| 229 | L | 87.7 | Confident | 92.8 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 178.5 | -168.8 | 77.5 | 0 | 0 | 0 | 112.1 | A225 A226 R231 R232 L964 F966 Q970 F974 | A225-L229 PolarHBondContact O-N 3.04Å; A226-L229 WeakPolarHBondContact O-CB 3.41Å; A226-L229 PolarHBondContact O-N 3.42Å; L229-R231 VanDerWaalsContact C-N 3.26Å; L229-R231 PolarHBondContact O-N 3.45Å; L229-R232 WeakPolarHBondContact O-CA 3.45Å; L229-R232 PolarHBondContact O-N 2.96Å; L229-L964 HydrophobicContact CB-CD2 4.42Å; L229-L964 HydrophobicContact CD1-CD2 3.56Å; L229-L964 HydrophobicContact CD1-CG 3.91Å; L229-F966 HydrophobicContact CD2-CD2 3.6Å; L229-F966 HydrophobicContact CD2-CE2 3.99Å; L229-F966 HydrophobicContact CG-CD2 3.82Å; L229-Q970 HydrophobicContact CD2-CB 3.95Å; L229-F974 HydrophobicContact CB-CE2 4.35Å; L229-F974 HydrophobicContact CB-CZ 4.47Å; L229-F974 HydrophobicContact CD2-CD2 3.82Å; L229-F974 HydrophobicContact CD2-CE2 3.6Å; L229-F974 HydrophobicContact CD2-CZ 4.49Å; L229-F974 HydrophobicContact CG-CE2 4.41Å |
| 230 | I | 88.6 | Confident | 92.7 | Very high | 130 Ų | 130 | 50.6 Ų | 50.6 | 67% | 0.667 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.3 | -36.1 | 175.6 | -67.2 | 164.1 | 0 | 0 | 0 | 111.2 | A226 I228 R232 | A226-I230 WeakPolarHBondContact O-CG1 3.2Å; A226-I230 PolarHBondContact O-N 2.97Å; I228-I230 PolarHBondContact O-N 3.49Å; I230-R232 PolarHBondContact O-N 3.22Å |
| 231 | R | 89.6 | Confident | 92.7 | Very high | 98 Ų | 98 | 47.4 Ų | 47.4 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.5 | 174.6 | -73.7 | -174.4 | -72.4 | 151.7 | -8.1 | 113.6 | S227 I228 L229 K233 D238 | S227-R231 WeakPolarHBondContact O-CG 3.11Å; S227-R231 PolarHBondContact O-N 2.89Å; I228-R231 WeakPolarHBondContact O-CB 3.42Å; I228-R231 PolarHBondContact O-N 3.24Å; I228-R231 VanDerWaalsContact O-N 3.13Å; L229-R231 VanDerWaalsContact C-N 3.26Å; L229-R231 PolarHBondContact O-N 3.45Å; R231-K233 PolarHBondContact O-N 3.17Å; R231-D238 IonicContact CZ-OD1 4Å; R231-D238 IonicContact CZ-OD2 2.82Å; R231-D238 IonicContact NH1-OD1 3.08Å; R231-D238 IonicContact NH1-OD2 3.69Å; R231-D238 PolarHBondContact NH1-OD2 3.47Å; R231-D238 IonicContact NH2-OD1 3.87Å; R231-D238 PolarHBondContact NH2-OD1 3.33Å; R231-D238 IonicContact NH2-OD2 3.48Å; R231-D238 PolarHBondContact NH2-OD2 2.9Å |
| 232 | R | 88.1 | Confident | 92.7 | Very high | 120 Ų | 120 | 47.5 Ų | 47.5 | 45% | 0.453 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 13 | -175 | -57.1 | -171.9 | -178 | -169.7 | 4.8 | 114.6 | I228 L229 I230 L964 F966 E1035 | I228-R232 PolarHBondContact O-N 3.23Å; L229-R232 WeakPolarHBondContact O-CA 3.45Å; L229-R232 PolarHBondContact O-N 2.96Å; I230-R232 PolarHBondContact O-N 3.22Å; R232-L964 PolarHBondContact O-N 3.04Å; R232-F966 HydrophobicContact CG-CB 4.34Å; R232-E1035 PolarHBondContact NH2-O 3.24Å |
| 233 | K | 87.5 | Confident | 92.7 | Very high | 67 Ų | 67 | 49.5 Ų | 49.5 | 29% | 0.291 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 133.1 | -177.8 | -66.8 | -173.4 | -179.3 | -174.1 | 0 | 109.4 | R231 Y235 Y961 A962 Y963 | R231-K233 PolarHBondContact O-N 3.17Å; K233-Y235 HydrophobicContact CB-CE2 4.48Å; K233-Y961 HydrophobicContact CD-CD2 4.17Å; K233-Y961 HydrophobicContact CD-CE2 4.36Å; K233-A962 WeakPolarHBondContact CA-O 3.23Å; K233-Y963 HydrophobicContact CD-CE1 4.46Å; K233-Y963 VanDerWaalsContact CE-CE1 3.44Å; K233-Y963 HydrophobicContact CG-CD1 4.19Å |
| 234 | I | 89.9 | Confident | 92.8 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.6 | 171.7 | -173.3 | 169.3 | 0 | 0 | 0 | 109.3 | I228 D238 Y950 I954 Y961 A962 | I228-I234 HydrophobicContact CG2-CB 3.69Å; I228-I234 HydrophobicContact CG2-CD1 4.22Å; I228-I234 HydrophobicContact CG2-CG1 3.94Å; I234-D238 HydrophobicContact CD1-CB 4.45Å; I234-D238 HydrophobicContact CG1-CB 3.8Å; I234-Y950 HydrophobicContact CD1-CD1 4.31Å; I234-Y950 HydrophobicContact CD1-CD2 3.57Å; I234-Y950 HydrophobicContact CD1-CE2 4.19Å; I234-Y950 HydrophobicContact CD1-CG 3.67Å; I234-Y950 HydrophobicContact CG2-CD1 3.78Å; I234-Y950 HydrophobicContact CG2-CE1 4.08Å; I234-Y950 HydrophobicContact CG2-CG 4.21Å; I234-I954 HydrophobicContact CG2-CD1 4.23Å; I234-Y961 CarbonylContact O-C 3.58Å; I234-Y961 WeakPolarHBondContact O-CA 3.47Å; I234-Y961 WeakPolarHBondContact O-CB 3.45Å; I234-A962 HydrophobicContact CG2-CB 3.8Å; I234-A962 PolarHBondContact N-O 2.96Å; I234-A962 PolarHBondContact O-N 3Å |
| 235 | Y | 92.2 | Very high | 92.8 | Very high | 105 Ų | 105 | 48.2 Ų | 48.2 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 158.9 | 177.5 | -66.4 | -88.7 | 0 | 0 | 0 | 110.8 | K233 A237 D238 A239 | K233-Y235 HydrophobicContact CB-CE2 4.48Å; Y235-A237 PolarHBondContact O-N 3.39Å; Y235-A237 VanDerWaalsContact O-N 3.15Å; Y235-D238 PolarHBondContact N-OD2 2.81Å; Y235-D238 WeakPolarHBondContact O-CB 3.43Å; Y235-D238 PolarHBondContact O-N 2.92Å; Y235-A239 PolarHBondContact O-N 3.31Å |
| 236 | F | 92.5 | Very high | 92.9 | Very high | 86 Ų | 86 | 50 Ų | 50 | 38% | 0.377 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -53.2 | -36.6 | 174.5 | -168.6 | -111.1 | 0 | 0 | 0 | 113.2 | D238 A239 I240 T951 I954 G960 | F236-D238 PolarHBondContact O-N 2.89Å; F236-A239 PolarHBondContact O-N 3.34Å; F236-I240 HydrophobicContact CD1-CD1 3.77Å; F236-I240 HydrophobicContact CE1-CD1 3.2Å; F236-I240 HydrophobicContact CE1-CG1 4.21Å; F236-I240 HydrophobicContact CE2-CD1 4.38Å; F236-I240 HydrophobicContact CZ-CD1 3.56Å; F236-I240 HydrophobicContact CZ-CG1 4.3Å; F236-I240 PolarHBondContact O-N 3.35Å; F236-I240 VanDerWaalsContact O-N 3.08Å; F236-T951 HydrophobicContact CE2-CG2 4.1Å; F236-T951 HydrophobicContact CZ-CG2 4.48Å; F236-I954 HydrophobicContact CB-CG2 3.94Å; F236-I954 HydrophobicContact CD2-CB 4.1Å; F236-I954 HydrophobicContact CD2-CG2 3.78Å; F236-I954 HydrophobicContact CG-CG2 4.33Å; F236-G960 PolarHBondContact N-O 3.34Å |
| 237 | A | 94.2 | Very high | 93.1 | Very high | 76 Ų | 76 | 54.1 Ų | 54.1 | 63% | 0.628 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.2 | -34.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y235 G241 | Y235-A237 PolarHBondContact O-N 3.39Å; Y235-A237 VanDerWaalsContact O-N 3.15Å; A237-G241 WeakPolarHBondContact O-CA 3.12Å; A237-G241 PolarHBondContact O-N 3.32Å |
| 238 | D | 94.2 | Very high | 93.3 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 9% | 0.086 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 175.6 | -68.4 | -59.5 | 0 | 0 | 0 | 110.7 | W224 I228 R231 I234 Y235 F236 G241 F242 | W224-D238 PolarHBondContact NE1-OD1 3.32Å; I228-D238 HydrophobicContact CD1-CB 3.94Å; I228-D238 HydrophobicContact CG1-CB 4.3Å; R231-D238 IonicContact CZ-OD1 4Å; R231-D238 IonicContact CZ-OD2 2.82Å; R231-D238 IonicContact NH1-OD1 3.08Å; R231-D238 IonicContact NH1-OD2 3.69Å; R231-D238 PolarHBondContact NH1-OD2 3.47Å; R231-D238 IonicContact NH2-OD1 3.87Å; R231-D238 PolarHBondContact NH2-OD1 3.33Å; R231-D238 IonicContact NH2-OD2 3.48Å; R231-D238 PolarHBondContact NH2-OD2 2.9Å; I234-D238 HydrophobicContact CD1-CB 4.45Å; I234-D238 HydrophobicContact CG1-CB 3.8Å; Y235-D238 PolarHBondContact N-OD2 2.81Å; Y235-D238 WeakPolarHBondContact O-CB 3.43Å; Y235-D238 PolarHBondContact O-N 2.92Å; F236-D238 PolarHBondContact O-N 2.89Å; D238-G241 WeakPolarHBondContact O-CA 3.17Å; D238-G241 PolarHBondContact O-N 2.92Å; D238-F242 PolarHBondContact O-N 3.22Å |
| 239 | A | 93.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y235 F236 G241 F242 G947 T951 I954 | Y235-A239 PolarHBondContact O-N 3.31Å; F236-A239 PolarHBondContact O-N 3.34Å; A239-G241 VanDerWaalsContact C-N 3.26Å; A239-G241 PolarHBondContact O-N 3.31Å; A239-F242 PolarHBondContact O-N 3.02Å; A239-G947 WeakPolarHBondContact O-CA 3.42Å; A239-T951 WeakPolarHBondContact CB-OG1 3.21Å; A239-I954 HydrophobicContact CB-CD1 4.48Å |
| 240 | I | 95.3 | Very high | 93.8 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 34% | 0.344 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 172 | -68.6 | 179.9 | 0 | 0 | 0 | 110.6 | F236 F242 L243 V244 T951 | F236-I240 HydrophobicContact CD1-CD1 3.77Å; F236-I240 HydrophobicContact CE1-CD1 3.2Å; F236-I240 HydrophobicContact CE1-CG1 4.21Å; F236-I240 HydrophobicContact CE2-CD1 4.38Å; F236-I240 HydrophobicContact CZ-CD1 3.56Å; F236-I240 HydrophobicContact CZ-CG1 4.3Å; F236-I240 PolarHBondContact O-N 3.35Å; F236-I240 VanDerWaalsContact O-N 3.08Å; I240-F242 VanDerWaalsContact C-N 3.28Å; I240-F242 PolarHBondContact O-N 3.43Å; I240-L243 WeakPolarHBondContact O-CB 3.27Å; I240-L243 PolarHBondContact O-N 3.3Å; I240-L243 VanDerWaalsContact O-N 3.07Å; I240-V244 HydrophobicContact CG2-CG2 4.04Å; I240-V244 WeakPolarHBondContact O-CG2 3.29Å; I240-V244 PolarHBondContact O-N 2.99Å; I240-T951 HydrophobicContact CG1-CG2 4.36Å |
| 241 | G | 97.1 | Very high | 94 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A237 D238 A239 V244 F245 | A237-G241 WeakPolarHBondContact O-CA 3.12Å; A237-G241 PolarHBondContact O-N 3.32Å; D238-G241 WeakPolarHBondContact O-CA 3.17Å; D238-G241 PolarHBondContact O-N 2.92Å; A239-G241 VanDerWaalsContact C-N 3.26Å; A239-G241 PolarHBondContact O-N 3.31Å; G241-V244 PolarHBondContact O-N 3.43Å; G241-F245 VanDerWaalsContact O-CB 3.28Å; G241-F245 WeakPolarHBondContact O-CB 3.49Å; G241-F245 PolarHBondContact O-N 3.08Å |
| 242 | F | 96.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 174.1 | -75.4 | -41.5 | 0 | 0 | 0 | 113.4 | W224 A225 I228 D238 A239 I240 F245 Y246 L943 A946 | W224-F242 HydrophobicContact CB-CE1 4.34Å; W224-F242 HydrophobicContact CD2-CE1 4.17Å; W224-F242 HydrophobicContact CE3-CD1 4.42Å; W224-F242 HydrophobicContact CE3-CE1 4.39Å; W224-F242 HydrophobicContact CG-CE1 4.16Å; A225-F242 HydrophobicContact CB-CZ 3.99Å; I228-F242 HydrophobicContact CD1-CE1 4.38Å; I228-F242 HydrophobicContact CD1-CE2 3.65Å; I228-F242 HydrophobicContact CD1-CZ 3.46Å; I228-F242 VanDerWaalsContact CD1-CZ 3.46Å; D238-F242 PolarHBondContact O-N 3.22Å; A239-F242 PolarHBondContact O-N 3.02Å; I240-F242 VanDerWaalsContact C-N 3.28Å; I240-F242 PolarHBondContact O-N 3.43Å; F242-F245 PolarHBondContact O-N 3.06Å; F242-Y246 PolarHBondContact O-N 2.84Å; F242-L943 HydrophobicContact CB-CD2 4.26Å; F242-L943 HydrophobicContact CD1-CD2 3.55Å; F242-L943 HydrophobicContact CE1-CD2 4.26Å; F242-L943 HydrophobicContact CG-CD2 4.25Å; F242-A946 HydrophobicContact CD2-CB 4.29Å; F242-A946 HydrophobicContact CE2-CB 4.32Å |
| 243 | L | 97 | Very high | 94.3 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 22% | 0.22 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 176.9 | -61.8 | 178.1 | 0 | 0 | 0 | 111.6 | I240 F245 Y246 L247 L944 L948 | I240-L243 WeakPolarHBondContact O-CB 3.27Å; I240-L243 PolarHBondContact O-N 3.3Å; I240-L243 VanDerWaalsContact O-N 3.07Å; L243-F245 VanDerWaalsContact C-N 3.34Å; L243-Y246 WeakPolarHBondContact O-CB 3.33Å; L243-Y246 PolarHBondContact O-N 3.37Å; L243-L247 WeakPolarHBondContact O-CG 3.4Å; L243-L247 PolarHBondContact O-N 2.92Å; L243-L944 HydrophobicContact CD2-CD2 3.68Å; L243-L948 HydrophobicContact CD2-CB 4.48Å |
| 244 | V | 97.9 | Very high | 94.4 | Very high | 76 Ų | 76 | 51.5 Ų | 51.5 | 46% | 0.461 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.2 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | I240 G241 Y246 L247 V248 | I240-V244 HydrophobicContact CG2-CG2 4.04Å; I240-V244 WeakPolarHBondContact O-CG2 3.29Å; I240-V244 PolarHBondContact O-N 2.99Å; G241-V244 PolarHBondContact O-N 3.43Å; V244-Y246 VanDerWaalsContact C-N 3.31Å; V244-Y246 PolarHBondContact O-N 3.41Å; V244-L247 PolarHBondContact O-N 3.49Å; V244-V248 HydrophobicContact CG1-CG2 4.44Å; V244-V248 WeakPolarHBondContact O-CG2 3.48Å; V244-V248 PolarHBondContact O-N 3.46Å |
| 245 | F | 97.8 | Very high | 94.5 | Very high | 30 Ų | 30 | 55.3 Ų | 55.3 | 13% | 0.132 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 177.9 | -169.3 | -112.9 | 0 | 0 | 0 | 112.2 | F217 I220 A221 W224 G241 F242 L243 V248 Y249 L943 | F217-F245 HydrophobicContact CD1-CE1 4.12Å; F217-F245 AromaticContact CD1-CE2 3.98Å; F217-F245 HydrophobicContact CD1-CE2 3.98Å; F217-F245 AromaticContact CD1-CZ 3.52Å; F217-F245 HydrophobicContact CD1-CZ 3.52Å; F217-F245 HydrophobicContact CE1-CE2 4.12Å; F217-F245 HydrophobicContact CE1-CZ 4.13Å; F217-F245 HydrophobicContact CG-CZ 4.49Å; I220-F245 HydrophobicContact CB-CZ 3.97Å; I220-F245 HydrophobicContact CG2-CE1 4.32Å; I220-F245 HydrophobicContact CG2-CE2 4.05Å; I220-F245 HydrophobicContact CG2-CZ 3.58Å; A221-F245 HydrophobicContact CB-CD1 4.48Å; A221-F245 HydrophobicContact CB-CE1 4.01Å; W224-F245 HydrophobicContact CZ3-CB 4.12Å; W224-F245 HydrophobicContact CZ3-CG 4.34Å; G241-F245 VanDerWaalsContact O-CB 3.28Å; G241-F245 WeakPolarHBondContact O-CB 3.49Å; G241-F245 PolarHBondContact O-N 3.08Å; F242-F245 PolarHBondContact O-N 3.06Å; L243-F245 VanDerWaalsContact C-N 3.34Å; F245-V248 PolarHBondContact O-N 2.8Å; F245-Y249 WeakPolarHBondContact O-CB 3.39Å; F245-Y249 PolarHBondContact O-N 2.95Å; F245-L943 HydrophobicContact CB-CD2 4.5Å; F245-L943 HydrophobicContact CD1-CD1 3.6Å; F245-L943 HydrophobicContact CD1-CD2 3.61Å; F245-L943 HydrophobicContact CD1-CG 4.26Å; F245-L943 HydrophobicContact CE1-CD1 4.18Å; F245-L943 HydrophobicContact CE1-CD2 4.39Å |
| 246 | Y | 96.2 | Very high | 94.3 | Very high | 38 Ų | 38 | 52.1 Ų | 52.1 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 170.8 | 178.3 | -106.6 | 0 | 0 | 0 | 112.1 | F242 L243 V244 V248 Y249 V250 F940 L943 L944 | F242-Y246 PolarHBondContact O-N 2.84Å; L243-Y246 WeakPolarHBondContact O-CB 3.33Å; L243-Y246 PolarHBondContact O-N 3.37Å; V244-Y246 VanDerWaalsContact C-N 3.31Å; V244-Y246 PolarHBondContact O-N 3.41Å; Y246-V248 VanDerWaalsContact C-N 3.33Å; Y246-V248 PolarHBondContact O-N 3.37Å; Y246-Y249 HydrophobicContact CD2-CD1 4.37Å; Y246-Y249 HydrophobicContact CE2-CD1 4.47Å; Y246-Y249 WeakPolarHBondContact O-CB 3.44Å; Y246-Y249 PolarHBondContact O-N 2.98Å; Y246-Y249 VanDerWaalsContact O-N 3.16Å; Y246-V250 HydrophobicContact CD1-CG2 4.23Å; Y246-V250 HydrophobicContact CD2-CG2 4.26Å; Y246-V250 HydrophobicContact CE1-CG2 3.74Å; Y246-V250 HydrophobicContact CE2-CG2 3.76Å; Y246-V250 HydrophobicContact CG-CG2 4.47Å; Y246-V250 VanDerWaalsContact CZ-CG2 3.49Å; Y246-V250 WeakPolarHBondContact O-CG2 3.45Å; Y246-V250 PolarHBondContact O-N 3.21Å; Y246-F940 AromaticContact CE2-CD2 3.72Å; Y246-F940 HydrophobicContact CE2-CD2 3.72Å; Y246-F940 HydrophobicContact CE2-CE2 4.44Å; Y246-F940 AromaticContact CZ-CD2 3.79Å; Y246-F940 WeakPolarHBondContact OH-CD2 3.32Å; Y246-L943 HydrophobicContact CD2-CB 4.4Å; Y246-L943 HydrophobicContact CD2-CD1 4.39Å; Y246-L944 HydrophobicContact CD1-CD1 4.02Å; Y246-L944 HydrophobicContact CD1-CD2 3.52Å; Y246-L944 HydrophobicContact CD1-CG 3.73Å; Y246-L944 HydrophobicContact CD2-CG 4.19Å; Y246-L944 HydrophobicContact CE1-CD1 3.62Å; Y246-L944 HydrophobicContact CE1-CD2 3.97Å; Y246-L944 HydrophobicContact CE1-CG 3.87Å; Y246-L944 HydrophobicContact CE2-CD1 4.34Å; Y246-L944 HydrophobicContact CE2-CG 4.33Å; Y246-L944 HydrophobicContact CG-CD2 3.95Å; Y246-L944 HydrophobicContact CG-CG 3.89Å |
| 247 | L | 96 | Very high | 94 | Very high | 105 Ų | 105 | 48.6 Ų | 48.6 | 55% | 0.55 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 176.2 | -68.7 | 176 | 0 | 0 | 0 | 111.8 | L243 V244 Y249 V250 L251 | L243-L247 WeakPolarHBondContact O-CG 3.4Å; L243-L247 PolarHBondContact O-N 2.92Å; V244-L247 PolarHBondContact O-N 3.49Å; L247-Y249 VanDerWaalsContact C-N 3.35Å; L247-Y249 PolarHBondContact O-N 3.29Å; L247-V250 PolarHBondContact O-N 2.95Å; L247-L251 WeakPolarHBondContact O-CB 3.45Å; L247-L251 VanDerWaalsContact O-CG 3.24Å; L247-L251 WeakPolarHBondContact O-CG 3.39Å; L247-L251 PolarHBondContact O-N 3.11Å |
| 248 | V | 96.7 | Very high | 93.6 | Very high | 63 Ų | 63 | 47.9 Ų | 47.9 | 38% | 0.382 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 174.2 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | F217 V244 F245 Y246 L251 T252 | F217-V248 HydrophobicContact CE1-CG1 4.46Å; V244-V248 HydrophobicContact CG1-CG2 4.44Å; V244-V248 WeakPolarHBondContact O-CG2 3.48Å; V244-V248 PolarHBondContact O-N 3.46Å; F245-V248 PolarHBondContact O-N 2.8Å; Y246-V248 VanDerWaalsContact C-N 3.33Å; Y246-V248 PolarHBondContact O-N 3.37Å; V248-L251 PolarHBondContact O-N 3.11Å; V248-T252 HydrophobicContact CG1-CG2 4.19Å; V248-T252 WeakPolarHBondContact O-CB 3.5Å; V248-T252 WeakPolarHBondContact O-CG2 3.23Å; V248-T252 PolarHBondContact O-N 2.9Å; V248-T252 PolarHBondContact O-OG1 3.49Å |
| 249 | Y | 95.7 | Very high | 93.1 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 175.8 | 167.1 | -105.2 | 0 | 0 | 0 | 112.1 | V147 D214 F217 F245 Y246 L247 T252 T253 L939 | V147-Y249 WeakPolarHBondContact CB-OH 3.19Å; D214-Y249 PolarHBondContact OD1-OH 2.98Å; F217-Y249 HydrophobicContact CB-CD2 3.87Å; F217-Y249 HydrophobicContact CB-CE2 4.28Å; F217-Y249 AromaticContact CD1-CD2 3.98Å; F217-Y249 HydrophobicContact CD1-CD2 3.98Å; F217-Y249 HydrophobicContact CD2-CD2 4.13Å; F217-Y249 AromaticContact CG-CD2 3.73Å; F217-Y249 HydrophobicContact CG-CD2 3.73Å; F217-Y249 HydrophobicContact CG-CE2 4.46Å; F245-Y249 WeakPolarHBondContact O-CB 3.39Å; F245-Y249 PolarHBondContact O-N 2.95Å; Y246-Y249 HydrophobicContact CD2-CD1 4.37Å; Y246-Y249 HydrophobicContact CE2-CD1 4.47Å; Y246-Y249 WeakPolarHBondContact O-CB 3.44Å; Y246-Y249 PolarHBondContact O-N 2.98Å; Y246-Y249 VanDerWaalsContact O-N 3.16Å; L247-Y249 VanDerWaalsContact C-N 3.35Å; L247-Y249 PolarHBondContact O-N 3.29Å; Y249-T252 WeakPolarHBondContact CA-OG1 3.45Å; Y249-T252 PolarHBondContact O-N 2.95Å; Y249-T252 PolarHBondContact O-OG1 2.99Å; Y249-T253 VanDerWaalsContact O-CB 3.31Å; Y249-T253 WeakPolarHBondContact O-CB 3.43Å; Y249-T253 PolarHBondContact O-N 3.09Å; Y249-T253 PolarHBondContact O-OG1 3.44Å; Y249-L939 HydrophobicContact CD1-CD2 4.21Å; Y249-L939 HydrophobicContact CD2-CD2 3.96Å; Y249-L939 HydrophobicContact CE1-CD2 3.94Å; Y249-L939 HydrophobicContact CE2-CD2 3.65Å; Y249-L939 HydrophobicContact CG-CD2 4.21Å |
| 250 | V | 93.1 | Very high | 92.6 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 111 | Y246 L247 T253 W254 | Y246-V250 HydrophobicContact CD1-CG2 4.23Å; Y246-V250 HydrophobicContact CD2-CG2 4.26Å; Y246-V250 HydrophobicContact CE1-CG2 3.74Å; Y246-V250 HydrophobicContact CE2-CG2 3.76Å; Y246-V250 HydrophobicContact CG-CG2 4.47Å; Y246-V250 VanDerWaalsContact CZ-CG2 3.49Å; Y246-V250 WeakPolarHBondContact O-CG2 3.45Å; Y246-V250 PolarHBondContact O-N 3.21Å; L247-V250 PolarHBondContact O-N 2.95Å; V250-T253 PolarHBondContact O-N 3.49Å; V250-W254 WeakPolarHBondContact O-CB 3.22Å; V250-W254 PolarHBondContact O-N 3.14Å |
| 251 | L | 93 | Very high | 91.6 | Very high | 107 Ų | 107 | 54.4 Ų | 54.4 | 56% | 0.56 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.7 | -46.5 | 178.3 | -72 | 171.8 | 0 | 0 | 0 | 111.8 | L247 V248 T253 W254 V255 | L247-L251 WeakPolarHBondContact O-CB 3.45Å; L247-L251 VanDerWaalsContact O-CG 3.24Å; L247-L251 WeakPolarHBondContact O-CG 3.39Å; L247-L251 PolarHBondContact O-N 3.11Å; V248-L251 PolarHBondContact O-N 3.11Å; L251-T253 VanDerWaalsContact C-N 3.3Å; L251-T253 PolarHBondContact O-N 2.98Å; L251-W254 PolarHBondContact O-N 2.83Å; L251-V255 WeakPolarHBondContact O-CB 3.45Å; L251-V255 VanDerWaalsContact O-CG2 3.3Å; L251-V255 WeakPolarHBondContact O-CG2 3.23Å; L251-V255 PolarHBondContact O-N 3.49Å |
| 252 | T | 93.3 | Very high | 90.8 | Very high | 50 Ų | 50 | 62.2 Ų | 62.2 | 31% | 0.307 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -35.3 | 177.8 | 56.2 | 0 | 0 | 0 | 0 | 112 | F217 V248 Y249 S256 | F217-T252 HydrophobicContact CZ-CG2 4.21Å; F217-T252 WeakPolarHBondContact CZ-OG1 3.24Å; V248-T252 HydrophobicContact CG1-CG2 4.19Å; V248-T252 WeakPolarHBondContact O-CB 3.5Å; V248-T252 WeakPolarHBondContact O-CG2 3.23Å; V248-T252 PolarHBondContact O-N 2.9Å; V248-T252 PolarHBondContact O-OG1 3.49Å; Y249-T252 WeakPolarHBondContact CA-OG1 3.45Å; Y249-T252 PolarHBondContact O-N 2.95Å; Y249-T252 PolarHBondContact O-OG1 2.99Å; T252-S256 WeakPolarHBondContact O-CB 3.41Å; T252-S256 PolarHBondContact O-N 3.33Å |
| 253 | T | 91.8 | Very high | 89.8 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 5% | 0.049 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 174.6 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | L144 V147 K213 Y249 V250 L251 S256 S257 | L144-T253 HydrophobicContact CD1-CG2 3.45Å; L144-T253 VanDerWaalsContact CD1-CG2 3.45Å; V147-T253 HydrophobicContact CG2-CG2 3.67Å; K213-T253 PolarHBondContact NZ-OG1 3.48Å; Y249-T253 VanDerWaalsContact O-CB 3.31Å; Y249-T253 WeakPolarHBondContact O-CB 3.43Å; Y249-T253 PolarHBondContact O-N 3.09Å; Y249-T253 PolarHBondContact O-OG1 3.44Å; V250-T253 PolarHBondContact O-N 3.49Å; L251-T253 VanDerWaalsContact C-N 3.3Å; L251-T253 PolarHBondContact O-N 2.98Å; T253-S256 PolarHBondContact O-N 3.32Å; T253-S257 WeakPolarHBondContact O-CB 3.16Å; T253-S257 PolarHBondContact O-N 2.83Å |
| 254 | W | 89.7 | Confident | 88.4 | Confident | 148 Ų | 148 | 69.5 Ų | 69.5 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.8 | -46.5 | 177.6 | -178.2 | 78.3 | 0 | 0 | 0 | 112 | V250 L251 S257 T258 | V250-W254 WeakPolarHBondContact O-CB 3.22Å; V250-W254 PolarHBondContact O-N 3.14Å; L251-W254 PolarHBondContact O-N 2.83Å; W254-S257 PolarHBondContact O-N 3.5Å; W254-T258 HydrophobicContact CD2-CG2 4.33Å; W254-T258 HydrophobicContact CZ2-CG2 4.23Å; W254-T258 WeakPolarHBondContact O-CG2 3.44Å; W254-T258 PolarHBondContact O-N 3.31Å; W254-T258 PolarHBondContact O-OG1 2.94Å |
| 255 | V | 91.1 | Very high | 87.1 | Confident | 82 Ų | 82 | 75.8 Ų | 75.8 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 175.1 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | L251 S257 T258 Y259 | L251-V255 WeakPolarHBondContact O-CB 3.45Å; L251-V255 VanDerWaalsContact O-CG2 3.3Å; L251-V255 WeakPolarHBondContact O-CG2 3.23Å; L251-V255 PolarHBondContact O-N 3.49Å; V255-S257 VanDerWaalsContact C-N 3.33Å; V255-S257 PolarHBondContact O-N 2.87Å; V255-T258 WeakPolarHBondContact CA-OG1 3.49Å; V255-T258 PolarHBondContact O-N 3.2Å; V255-T258 PolarHBondContact O-OG1 3.35Å; V255-Y259 WeakPolarHBondContact O-CB 3.39Å; V255-Y259 PolarHBondContact O-N 3.13Å |
| 256 | S | 88.7 | Confident | 86 | Confident | 38 Ų | 38 | 79.1 Ų | 79.1 | 27% | 0.266 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | T252 T253 M260 | T252-S256 WeakPolarHBondContact O-CB 3.41Å; T252-S256 PolarHBondContact O-N 3.33Å; T253-S256 PolarHBondContact O-N 3.32Å; S256-M260 WeakPolarHBondContact O-CB 3.47Å; S256-M260 WeakPolarHBondContact O-CG 3.38Å; S256-M260 PolarHBondContact O-N 2.95Å |
| 257 | S | 86.3 | Confident | 84.2 | Confident | 12 Ų | 12 | 80.1 Ų | 80.1 | 8% | 0.084 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.7 | -49.6 | 177.4 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | S141 T253 W254 V255 Y259 M260 H261 | S141-S257 PolarHBondContact OG-OG 3.25Å; S141-S257 VanDerWaalsContact OG-OG 3.09Å; T253-S257 WeakPolarHBondContact O-CB 3.16Å; T253-S257 PolarHBondContact O-N 2.83Å; W254-S257 PolarHBondContact O-N 3.5Å; V255-S257 VanDerWaalsContact C-N 3.33Å; V255-S257 PolarHBondContact O-N 2.87Å; S257-Y259 VanDerWaalsContact C-N 3.34Å; S257-Y259 PolarHBondContact O-N 3.3Å; S257-M260 PolarHBondContact O-N 3.31Å; S257-H261 PolarHBondContact O-CD2 2.96Å; S257-H261 PolarHBondContact O-N 3.02Å |
| 258 | T | 85.2 | Confident | 81.8 | Confident | 60 Ų | 60 | 77.9 Ų | 77.9 | 37% | 0.368 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 179.3 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | W254 V255 H261 R262 | W254-T258 HydrophobicContact CD2-CG2 4.33Å; W254-T258 HydrophobicContact CZ2-CG2 4.23Å; W254-T258 WeakPolarHBondContact O-CG2 3.44Å; W254-T258 PolarHBondContact O-N 3.31Å; W254-T258 PolarHBondContact O-OG1 2.94Å; V255-T258 WeakPolarHBondContact CA-OG1 3.49Å; V255-T258 PolarHBondContact O-N 3.2Å; V255-T258 PolarHBondContact O-OG1 3.35Å; T258-H261 PolarHBondContact O-N 3.29Å; T258-R262 WeakPolarHBondContact O-CB 3.45Å; T258-R262 PolarHBondContact O-N 3.15Å |
| 259 | Y | 84.4 | Confident | 79.4 | Confident | 107 Ų | 107 | 83 Ų | 83 | 42% | 0.42 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 174.4 | -179.3 | -102.8 | 0 | 0 | 0 | 112.2 | V255 S257 R262 Q263 | V255-Y259 WeakPolarHBondContact O-CB 3.39Å; V255-Y259 PolarHBondContact O-N 3.13Å; S257-Y259 VanDerWaalsContact C-N 3.34Å; S257-Y259 PolarHBondContact O-N 3.3Å; Y259-R262 PolarHBondContact O-N 3.46Å; Y259-Q263 HydrophobicContact CD1-CG 4.36Å; Y259-Q263 HydrophobicContact CE1-CG 4Å; Y259-Q263 PolarHBondContact O-N 3.03Å; Y259-Q263 PolarHBondContact OH-NE2 3.23Å |
| 260 | M | 81 | Confident | 77 | Confident | 50 Ų | 50 | 87 Ų | 87 | 25% | 0.246 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 177.3 | -74.1 | -65.2 | -53.9 | 0 | 0 | 112.2 | S256 S257 R262 Q263 R264 | S256-M260 WeakPolarHBondContact O-CB 3.47Å; S256-M260 WeakPolarHBondContact O-CG 3.38Å; S256-M260 PolarHBondContact O-N 2.95Å; S257-M260 PolarHBondContact O-N 3.31Å; M260-R262 VanDerWaalsContact C-N 3.32Å; M260-R262 PolarHBondContact O-N 3.08Å; M260-Q263 PolarHBondContact O-N 2.83Å; M260-R264 WeakPolarHBondContact O-CG 3.34Å; M260-R264 PolarHBondContact O-N 3.15Å; M260-R264 VanDerWaalsContact O-N 3.12Å |
| 261 | H | 76 | Confident | 74.6 | Confident | 64 Ų | 64 | 91.8 Ų | 91.8 | 30% | 0.296 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 174.3 | -81.3 | -64.1 | 0 | 0 | 0 | 112.2 | S141 S257 T258 R265 | S141-H261 WeakPolarHBondContact CB-NE2 3.3Å; S257-H261 PolarHBondContact O-CD2 2.96Å; S257-H261 PolarHBondContact O-N 3.02Å; T258-H261 PolarHBondContact O-N 3.29Å; H261-R265 PolarHBondContact O-N 2.81Å; H261-R265 VanDerWaalsContact O-N 3.16Å |
| 262 | R | 80.2 | Confident | 72.1 | Confident | 176 Ų | 176 | 92.9 Ų | 92.9 | 66% | 0.664 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.2 | -40.8 | 177.4 | -168.7 | 173.2 | -178.6 | 172 | -0.9 | 112.5 | T258 Y259 M260 R264 R265 N266 | T258-R262 WeakPolarHBondContact O-CB 3.45Å; T258-R262 PolarHBondContact O-N 3.15Å; Y259-R262 PolarHBondContact O-N 3.46Å; M260-R262 VanDerWaalsContact C-N 3.32Å; M260-R262 PolarHBondContact O-N 3.08Å; R262-R264 VanDerWaalsContact C-N 3.34Å; R262-R264 PolarHBondContact O-N 3.24Å; R262-R265 PolarHBondContact O-N 3.48Å; R262-N266 WeakPolarHBondContact O-CB 3.25Å; R262-N266 PolarHBondContact O-N 3.37Å; R262-N266 PolarHBondContact O-OD1 3.27Å |
| 263 | Q | 74.4 | Confident | 69.9 | Low | 44 Ų | 44 | 93.9 Ų | 93.9 | 21% | 0.206 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.5 | -76.4 | -159 | -18.7 | 0 | 0 | 112 | Y259 M260 R265 N266 | Y259-Q263 HydrophobicContact CD1-CG 4.36Å; Y259-Q263 HydrophobicContact CE1-CG 4Å; Y259-Q263 PolarHBondContact O-N 3.03Å; Y259-Q263 PolarHBondContact OH-NE2 3.23Å; M260-Q263 PolarHBondContact O-N 2.83Å; Q263-R265 PolarHBondContact O-N 3.35Å; Q263-N266 PolarHBondContact O-N 2.95Å |
| 264 | R | 68.4 | Low | 67.6 | Low | 153 Ų | 153 | 99.5 Ų | 99.5 | 58% | 0.577 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -43.7 | 177.1 | -72.9 | 178.2 | 175.7 | 177.9 | -3.9 | 112 | M260 R262 G267 D725 | M260-R264 WeakPolarHBondContact O-CG 3.34Å; M260-R264 PolarHBondContact O-N 3.15Å; M260-R264 VanDerWaalsContact O-N 3.12Å; R262-R264 VanDerWaalsContact C-N 3.34Å; R262-R264 PolarHBondContact O-N 3.24Å; R264-G267 PolarHBondContact O-N 3.46Å; R264-D725 IonicContact NH1-OD2 3.29Å; R264-D725 PolarHBondContact NH1-OD2 2.85Å |
| 265 | R | 69 | Low | 65.4 | Low | 209 Ų | 209 | 100.1 Ų | 100.1 | 79% | 0.789 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.1 | -36.1 | 177.9 | -78.1 | -175.1 | 174.4 | -173.1 | -2.6 | 113.6 | H261 R262 Q263 G267 | H261-R265 PolarHBondContact O-N 2.81Å; H261-R265 VanDerWaalsContact O-N 3.16Å; R262-R265 PolarHBondContact O-N 3.48Å; Q263-R265 PolarHBondContact O-N 3.35Å; R265-G267 PolarHBondContact O-N 2.88Å |
| 266 | N | 75.3 | Confident | 63 | Low | 99 Ų | 99 | 101.5 Ų | 101.5 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 1.5 | -177.5 | -75.4 | 7.4 | 0 | 0 | 0 | 113.4 | R262 Q263 T268 | R262-N266 WeakPolarHBondContact O-CB 3.25Å; R262-N266 PolarHBondContact O-N 3.37Å; R262-N266 PolarHBondContact O-OD1 3.27Å; Q263-N266 PolarHBondContact O-N 2.95Å; N266-T268 HydrophobicContact CB-CG2 4.48Å; N266-T268 PolarHBondContact O-N 3.3Å |
| 267 | G | 59.1 | Low | 61.2 | Low | 59 Ų | 59 | 105.7 Ų | 105.7 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 4.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R264 R265 H269 | R264-G267 PolarHBondContact O-N 3.46Å; R265-G267 PolarHBondContact O-N 2.88Å; G267-H269 VanDerWaalsContact C-N 3.28Å; G267-H269 PolarHBondContact O-N 2.96Å |
| 268 | T | 45.4 | Very low | 59.5 | Low | 59 Ų | 59 | 109.6 Ų | 109.6 | 36% | 0.362 | 54% | 0.543 | S | S | . | . | trans | -78 | 84.8 | -179.7 | 46.3 | 0 | 0 | 0 | 0 | 108.2 | N266 S270 | N266-T268 HydrophobicContact CB-CG2 4.48Å; N266-T268 PolarHBondContact O-N 3.3Å; T268-S270 PolarHBondContact O-N 3.04Å | ||
| 269 | H | 45.8 | Very low | 58.1 | Low | 169 Ų | 169 | 110.2 Ų | 110.2 | 78% | 0.782 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -53.8 | 95.5 | 153.1 | -86.3 | -103.6 | 0 | 0 | 0 | 107.4 | G267 I271 | G267-H269 VanDerWaalsContact C-N 3.28Å; G267-H269 PolarHBondContact O-N 2.96Å; H269-I271 PolarHBondContact O-N 3.45Å |
| 270 | S | 46.5 | Very low | 56.6 | Low | 89 Ų | 89 | 109.7 Ų | 109.7 | 62% | 0.622 | 55% | 0.55 | S | S | * | * | S | Bend | trans | 39.6 | 67.1 | 168.5 | 65 | 0 | 0 | 0 | 0 | 115.7 | T268 L272 | T268-S270 PolarHBondContact O-N 3.04Å; S270-L272 VanDerWaalsContact C-N 3.33Å |
| 271 | I | 42.4 | Very low | 55.4 | Low | 145 Ų | 145 | 109.3 Ų | 109.3 | 74% | 0.744 | 55% | 0.552 | S | S | * | * | trans | -100.8 | 62.7 | 158.6 | -49 | 177.3 | 0 | 0 | 0 | 108 | H269 | H269-I271 PolarHBondContact O-N 3.45Š| ||
| 272 | L | 39.4 | Very low | 54 | Low | 130 Ų | 130 | 113.8 Ų | 113.8 | 68% | 0.681 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -158.4 | 119 | 159.7 | -157.2 | 83.9 | 0 | 0 | 0 | 110.1 | S270 | S270-L272 VanDerWaalsContact C-N 3.33Š|
| 273 | P | 47.2 | Very low | 52.8 | Low | 70 Ų | 70 | 108.4 Ų | 108.4 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | -102.5 | 155.6 | -67.4 | 27.1 | -10.7 | 0 | 0 | 0 | 109.7 | F275 L276 | P273-F275 HydrophobicContact CB-CB 4.27Å; P273-F275 HydrophobicContact CG-CB 4.1Å; P273-F275 PolarHBondContact O-N 2.83Å; P273-L276 PolarHBondContact O-N 3.22Å | |||
| 274 | L | 44.3 | Very low | 51.9 | Low | 127 Ų | 127 | 111.3 Ų | 111.3 | 67% | 0.665 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -43.5 | -21 | 166.2 | -95.1 | 146.4 | 0 | 0 | 0 | 114.1 | Q277 N278 | L274-Q277 PolarHBondContact O-N 3.4Å; L274-N278 VanDerWaalsContact O-CB 3.31Å; L274-N278 WeakPolarHBondContact O-CB 3.46Å; L274-N278 PolarHBondContact O-N 3.1Å |
| 275 | F | 42.2 | Very low | 51.4 | Low | 161 Ų | 161 | 109 Ų | 109 | 71% | 0.706 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61 | -40.4 | 172.6 | -155.5 | -96.5 | 0 | 0 | 0 | 114 | P273 T279 | P273-F275 HydrophobicContact CB-CB 4.27Å; P273-F275 HydrophobicContact CG-CB 4.1Å; P273-F275 PolarHBondContact O-N 2.83Å; F275-T279 PolarHBondContact O-N 3.05Å; F275-T279 PolarHBondContact O-OG1 3.05Å |
| 276 | L | 41.5 | Very low | 50.8 | Low | 111 Ų | 111 | 105.5 Ų | 105.5 | 58% | 0.581 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -78.8 | -32.2 | 178.3 | -143.3 | 84.2 | 0 | 0 | 0 | 112 | P273 T279 L280 | P273-L276 PolarHBondContact O-N 3.22Å; L276-T279 VanDerWaalsContact CA-OG1 3.23Å; L276-T279 WeakPolarHBondContact CA-OG1 3.4Å; L276-T279 PolarHBondContact O-N 3.19Å; L276-T279 PolarHBondContact O-OG1 3.01Å; L276-T279 VanDerWaalsContact O-OG1 3.13Å; L276-L280 HydrophobicContact CG-CD1 4.42Å; L276-L280 PolarHBondContact O-N 3.38Å |
| 277 | Q | 51 | Low | 49.7 | Very low | 125 Ų | 125 | 106.2 Ų | 106.2 | 58% | 0.584 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.9 | -35.8 | 175.4 | -170.1 | 163.4 | -14 | 0 | 0 | 111.6 | L274 S281 | L274-Q277 PolarHBondContact O-N 3.4Å; Q277-S281 WeakPolarHBondContact O-CB 3.4Å; Q277-S281 PolarHBondContact O-N 3.09Å; Q277-S281 PolarHBondContact O-OG 3.1Å |
| 278 | N | 50.2 | Low | 49.8 | Very low | 95 Ų | 95 | 106.4 Ų | 106.4 | 51% | 0.508 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -73.2 | -29.7 | 173.7 | -78.3 | -10.2 | 0 | 0 | 0 | 113.3 | L274 S281 | L274-N278 VanDerWaalsContact O-CB 3.31Å; L274-N278 WeakPolarHBondContact O-CB 3.46Å; L274-N278 PolarHBondContact O-N 3.1Å; N278-S281 PolarHBondContact O-OG 2.86Å |
| 279 | T | 56.1 | Low | 50.3 | Low | 72 Ų | 72 | 112.4 Ų | 112.4 | 44% | 0.442 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -80.2 | -34.2 | 176.8 | 38.1 | 0 | 0 | 0 | 0 | 113.1 | F275 L276 P283 | F275-T279 PolarHBondContact O-N 3.05Å; F275-T279 PolarHBondContact O-OG1 3.05Å; L276-T279 VanDerWaalsContact CA-OG1 3.23Å; L276-T279 WeakPolarHBondContact CA-OG1 3.4Å; L276-T279 PolarHBondContact O-N 3.19Å; L276-T279 PolarHBondContact O-OG1 3.01Å; L276-T279 VanDerWaalsContact O-OG1 3.13Å; T279-P283 WeakPolarHBondContact O-CD 3.36Å; T279-P283 VanDerWaalsContact O-CG 3.31Å; T279-P283 WeakPolarHBondContact O-CG 3.17Å |
| 280 | L | 52.1 | Low | 50.6 | Low | 97 Ų | 97 | 112.1 Ų | 112.1 | 51% | 0.508 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -84.6 | -27.3 | 174.8 | -106.3 | 105.7 | 0 | 0 | 0 | 114.2 | L276 P283 L284 | L276-L280 HydrophobicContact CG-CD1 4.42Å; L276-L280 PolarHBondContact O-N 3.38Å; L280-P283 VanDerWaalsContact O-CD 3.28Å; L280-P283 WeakPolarHBondContact O-CD 3.45Å; L280-P283 WeakPolarHBondContact O-CG 3.49Å; L280-L284 HydrophobicContact CD2-CD1 4.03Å; L280-L284 WeakPolarHBondContact O-CB 3.32Å; L280-L284 PolarHBondContact O-N 3.47Å |
| 281 | S | 56.3 | Low | 51.2 | Low | 41 Ų | 41 | 114.3 Ų | 114.3 | 29% | 0.287 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.4 | -36.1 | -178.7 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | Q277 N278 L284 N285 | Q277-S281 WeakPolarHBondContact O-CB 3.4Å; Q277-S281 PolarHBondContact O-N 3.09Å; Q277-S281 PolarHBondContact O-OG 3.1Å; N278-S281 PolarHBondContact O-OG 2.86Å; S281-L284 PolarHBondContact O-N 2.6Å; S281-N285 WeakPolarHBondContact O-CB 3.35Å; S281-N285 PolarHBondContact O-N 3.45Å; S281-N285 PolarHBondContact O-ND2 2.97Å |
| 282 | K | 47.3 | Very low | 51.7 | Low | 158 Ų | 158 | 113.5 Ų | 113.5 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.8 | -52.2 | 176.4 | -72.8 | -178.7 | 178.7 | 179.6 | 0 | 113.1 | N285 M286 | K282-N285 PolarHBondContact O-N 3.01Å; K282-M286 WeakPolarHBondContact O-CB 3.31Å; K282-M286 WeakPolarHBondContact O-CG 3.42Å; K282-M286 PolarHBondContact O-N 3.46Å |
| 283 | P | 53.9 | Low | 52.2 | Low | 63 Ų | 63 | 112.4 Ų | 112.4 | 41% | 0.409 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.5 | -35.5 | 175.9 | 24.1 | -31.2 | 0 | 0 | 0 | 112.3 | T279 L280 N285 M286 L287 | T279-P283 WeakPolarHBondContact O-CD 3.36Å; T279-P283 VanDerWaalsContact O-CG 3.31Å; T279-P283 WeakPolarHBondContact O-CG 3.17Å; L280-P283 VanDerWaalsContact O-CD 3.28Å; L280-P283 WeakPolarHBondContact O-CD 3.45Å; L280-P283 WeakPolarHBondContact O-CG 3.49Å; P283-N285 PolarHBondContact O-N 3.28Å; P283-M286 PolarHBondContact O-N 3.48Å; P283-L287 VanDerWaalsContact O-CB 3.28Å; P283-L287 WeakPolarHBondContact O-CB 3.38Å; P283-L287 WeakPolarHBondContact O-CG 3.28Å; P283-L287 PolarHBondContact O-N 3.49Å |
| 284 | L | 57.1 | Low | 52.3 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 56% | 0.555 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.4 | -39.8 | 174.8 | -113.5 | 100.9 | 0 | 0 | 0 | 112.5 | L280 S281 L287 S288 | L280-L284 HydrophobicContact CD2-CD1 4.03Å; L280-L284 WeakPolarHBondContact O-CB 3.32Å; L280-L284 PolarHBondContact O-N 3.47Å; S281-L284 PolarHBondContact O-N 2.6Å; L284-L287 PolarHBondContact O-N 3.29Å; L284-S288 VanDerWaalsContact O-CB 3.25Å; L284-S288 WeakPolarHBondContact O-CB 3.46Å; L284-S288 PolarHBondContact O-N 3.43Å |
| 285 | N | 57.2 | Low | 52.6 | Low | 104 Ų | 104 | 112.5 Ų | 112.5 | 56% | 0.556 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.7 | -35.1 | 178.2 | -71.9 | -15.4 | 0 | 0 | 0 | 111.6 | S281 K282 P283 S288 R289 | S281-N285 WeakPolarHBondContact O-CB 3.35Å; S281-N285 PolarHBondContact O-N 3.45Å; S281-N285 PolarHBondContact O-ND2 2.97Å; K282-N285 PolarHBondContact O-N 3.01Å; P283-N285 PolarHBondContact O-N 3.28Å; N285-S288 PolarHBondContact O-N 3.38Å; N285-R289 PolarHBondContact O-N 3.24Å |
| 286 | M | 56.9 | Low | 52.9 | Low | 135 Ų | 135 | 111.9 Ų | 111.9 | 67% | 0.665 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65 | -43.9 | 170.4 | -80.4 | -76.3 | -92.9 | 0 | 0 | 111.7 | K282 P283 S288 R289 K290 | K282-M286 WeakPolarHBondContact O-CB 3.31Å; K282-M286 WeakPolarHBondContact O-CG 3.42Å; K282-M286 PolarHBondContact O-N 3.46Å; P283-M286 PolarHBondContact O-N 3.48Å; M286-S288 VanDerWaalsContact C-N 3.35Å; M286-R289 PolarHBondContact O-N 2.91Å; M286-K290 WeakPolarHBondContact O-CB 3.44Å; M286-K290 PolarHBondContact O-N 2.87Å |
| 287 | L | 51.8 | Low | 53 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 60% | 0.602 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.9 | -37.6 | 173.5 | -83.2 | 158.2 | 0 | 0 | 0 | 111.6 | P283 L284 K290 R291 | P283-L287 VanDerWaalsContact O-CB 3.28Å; P283-L287 WeakPolarHBondContact O-CB 3.38Å; P283-L287 WeakPolarHBondContact O-CG 3.28Å; P283-L287 PolarHBondContact O-N 3.49Å; L284-L287 PolarHBondContact O-N 3.29Å; L287-K290 PolarHBondContact O-N 3.45Å; L287-R291 WeakPolarHBondContact O-CB 3.42Å; L287-R291 PolarHBondContact O-N 3.18Å |
| 288 | S | 62.1 | Low | 52.6 | Low | 63 Ų | 63 | 110.1 Ų | 110.1 | 44% | 0.441 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.2 | -41.7 | 174.1 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | L284 N285 M286 R291 Q292 | L284-S288 VanDerWaalsContact O-CB 3.25Å; L284-S288 WeakPolarHBondContact O-CB 3.46Å; L284-S288 PolarHBondContact O-N 3.43Å; N285-S288 PolarHBondContact O-N 3.38Å; M286-S288 VanDerWaalsContact C-N 3.35Å; S288-R291 PolarHBondContact O-N 2.91Å; S288-Q292 PolarHBondContact O-N 3.45Å |
| 289 | R | 55.6 | Low | 52.4 | Low | 184 Ų | 184 | 107 Ų | 107 | 69% | 0.694 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 172.5 | -87.3 | -176.8 | 175 | 177.9 | -1.2 | 111.9 | N285 M286 R291 Q292 N293 | N285-R289 PolarHBondContact O-N 3.24Å; M286-R289 PolarHBondContact O-N 2.91Å; R289-R291 VanDerWaalsContact C-N 3.25Å; R289-R291 PolarHBondContact O-N 2.94Å; R289-Q292 PolarHBondContact O-N 3.03Å; R289-N293 PolarHBondContact O-N 3.44Å |
| 290 | K | 52.5 | Low | 52 | Low | 163 Ų | 163 | 113.3 Ų | 113.3 | 71% | 0.709 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.8 | -32.2 | 174.7 | -128.2 | 175.1 | -177.7 | -178.8 | 0 | 111.8 | M286 L287 N293 L294 | M286-K290 WeakPolarHBondContact O-CB 3.44Å; M286-K290 PolarHBondContact O-N 2.87Å; L287-K290 PolarHBondContact O-N 3.45Å; K290-N293 PolarHBondContact O-N 2.89Å; K290-L294 PolarHBondContact O-N 3.29Å |
| 291 | R | 58 | Low | 51.9 | Low | 135 Ų | 135 | 115.6 Ų | 115.6 | 51% | 0.509 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -74.1 | -31.8 | 177.6 | -164.9 | 173.1 | -174.2 | 177.4 | -1.4 | 113.2 | L287 S288 R289 N293 L294 S295 | L287-R291 WeakPolarHBondContact O-CB 3.42Å; L287-R291 PolarHBondContact O-N 3.18Å; S288-R291 PolarHBondContact O-N 2.91Å; R289-R291 VanDerWaalsContact C-N 3.25Å; R289-R291 PolarHBondContact O-N 2.94Å; R291-N293 VanDerWaalsContact C-N 3.34Å; R291-L294 PolarHBondContact O-N 3.27Å; R291-S295 PolarHBondContact O-N 2.87Å |
| 292 | Q | 52.9 | Low | 51.5 | Low | 128 Ų | 128 | 116.4 Ų | 116.4 | 60% | 0.598 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.7 | -40.6 | 169.1 | -78.8 | -179 | -20.7 | 0 | 0 | 111.3 | S288 R289 S295 Q296 | S288-Q292 PolarHBondContact O-N 3.45Å; R289-Q292 PolarHBondContact O-N 3.03Å; Q292-S295 PolarHBondContact O-N 3.3Å; Q292-S295 PolarHBondContact O-OG 3.09Å; Q292-Q296 PolarHBondContact O-N 3.38Å |
| 293 | N | 50.4 | Low | 51.6 | Low | 107 Ų | 107 | 114 Ų | 114 | 57% | 0.572 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.4 | -37.1 | 175.4 | -67.6 | -4.9 | 0 | 0 | 0 | 112.6 | R289 K290 R291 S295 Q296 M297 | R289-N293 PolarHBondContact O-N 3.44Å; K290-N293 PolarHBondContact O-N 2.89Å; R291-N293 VanDerWaalsContact C-N 3.34Å; N293-S295 VanDerWaalsContact C-N 3.34Å; N293-S295 PolarHBondContact O-N 2.88Å; N293-Q296 PolarHBondContact O-N 3.42Å; N293-M297 PolarHBondContact O-N 2.87Å; N293-M297 VanDerWaalsContact O-N 3.17Å |
| 294 | L | 48.3 | Very low | 51.3 | Low | 116 Ų | 116 | 118.4 Ų | 118.4 | 61% | 0.607 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69 | -32.2 | 177.5 | -155.5 | 73.1 | 0 | 0 | 0 | 112.4 | K290 R291 Q296 M297 C298 | K290-L294 PolarHBondContact O-N 3.29Å; R291-L294 PolarHBondContact O-N 3.27Å; L294-Q296 VanDerWaalsContact C-N 3.28Å; L294-Q296 PolarHBondContact O-N 2.88Å; L294-M297 PolarHBondContact O-N 3.44Å; L294-M297 VanDerWaalsContact O-N 3.17Å; L294-C298 PolarHBondContact O-N 2.91Å |
| 295 | S | 50.3 | Low | 51 | Low | 83 Ų | 83 | 119.4 Ų | 119.4 | 58% | 0.58 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66 | -28.6 | 172.9 | 78.1 | 0 | 0 | 0 | 0 | 113.2 | R291 Q292 N293 | R291-S295 PolarHBondContact O-N 2.87Å; Q292-S295 PolarHBondContact O-N 3.3Å; Q292-S295 PolarHBondContact O-OG 3.09Å; N293-S295 VanDerWaalsContact C-N 3.34Å; N293-S295 PolarHBondContact O-N 2.88Å |
| 296 | Q | 49.2 | Very low | 50.5 | Low | 149 Ų | 149 | 118 Ų | 118 | 70% | 0.696 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75.1 | -33.3 | 170.9 | -81.1 | -176.1 | -11.6 | 0 | 0 | 112.4 | Q292 N293 L294 G299 | Q292-Q296 PolarHBondContact O-N 3.38Å; N293-Q296 PolarHBondContact O-N 3.42Å; L294-Q296 VanDerWaalsContact C-N 3.28Å; L294-Q296 PolarHBondContact O-N 2.88Å; Q296-G299 PolarHBondContact O-N 2.92Å |
| 297 | M | 43.8 | Very low | 50.3 | Low | 111 Ų | 111 | 118.4 Ų | 118.4 | 55% | 0.547 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.9 | -43.3 | 175.4 | -95.9 | -80.6 | 179.8 | 0 | 0 | 112.7 | N293 L294 G299 R300 | N293-M297 PolarHBondContact O-N 2.87Å; N293-M297 VanDerWaalsContact O-N 3.17Å; L294-M297 PolarHBondContact O-N 3.44Å; L294-M297 VanDerWaalsContact O-N 3.17Å; M297-G299 PolarHBondContact O-N 3.47Å; M297-R300 PolarHBondContact O-N 2.92Å |
| 298 | C | 42.8 | Very low | 50.3 | Low | 88 Ų | 88 | 118.3 Ų | 118.3 | 60% | 0.595 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.9 | -23.4 | 174 | -95.8 | 0 | 0 | 0 | 0 | 113 | L294 R300 | L294-C298 PolarHBondContact O-N 2.91Å; C298-R300 PolarHBondContact O-N 2.56Å |
| 299 | G | 45.2 | Very low | 49.8 | Very low | 28 Ų | 28 | 118.1 Ų | 118.1 | 29% | 0.289 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.6 | -13.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q296 M297 | Q296-G299 PolarHBondContact O-N 2.92Å; M297-G299 PolarHBondContact O-N 3.47Å |
| 300 | R | 47.4 | Very low | 49.8 | Very low | 205 Ų | 205 | 117.4 Ų | 117.4 | 77% | 0.774 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -92.2 | -23.7 | 179.1 | -79.3 | -174.4 | 174.2 | -179.3 | -1.8 | 114.5 | M297 C298 | M297-R300 PolarHBondContact O-N 2.92Å; C298-R300 PolarHBondContact O-N 2.56Å |
| 301 | I | 51.9 | Low | 50.1 | Low | 146 Ų | 146 | 112.8 Ų | 112.8 | 75% | 0.749 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -97 | -5.6 | -167.5 | -64.5 | 165.3 | 0 | 0 | 0 | 113 | ||
| 302 | C | 46.9 | Very low | 50.3 | Low | 57 Ų | 57 | 114.6 Ų | 114.6 | 39% | 0.385 | 57% | 0.569 | S | S | . | * | trans | -141 | 106.4 | 175.7 | -160.9 | 0 | 0 | 0 | 0 | 112.5 | Q304 F305 | C302-Q304 PolarHBondContact O-N 2.7Å; C302-F305 HydrophobicContact CB-CB 4.21Å; C302-F305 PolarHBondContact O-N 3.11Å; C302-F305 VanDerWaalsContact O-N 3.13Å | ||
| 303 | P | 49.5 | Very low | 50.2 | Low | 107 Ų | 107 | 116.3 Ų | 116.3 | 70% | 0.695 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.2 | -27.4 | 179.7 | 22 | -30 | 0 | 0 | 0 | 113.1 | F305 M306 F307 | P303-F305 VanDerWaalsContact C-N 3.3Å; P303-F305 PolarHBondContact O-N 3.44Å; P303-M306 PolarHBondContact O-N 2.89Å; P303-F307 PolarHBondContact O-N 2.99Å |
| 304 | Q | 48.3 | Very low | 50.4 | Low | 156 Ų | 156 | 119.1 Ų | 119.1 | 73% | 0.729 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.3 | -36.7 | 174.6 | -64.5 | -100.1 | -6 | 0 | 0 | 112 | C302 F307 L308 | C302-Q304 PolarHBondContact O-N 2.7Å; Q304-F307 PolarHBondContact O-N 2.61Å; Q304-L308 PolarHBondContact O-N 3.08Å |
| 305 | F | 49.6 | Very low | 50.9 | Low | 127 Ų | 127 | 117.9 Ų | 117.9 | 56% | 0.557 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.9 | -27.9 | 178.5 | -151.7 | -96.7 | 0 | 0 | 0 | 112.4 | C302 P303 T309 | C302-F305 HydrophobicContact CB-CB 4.21Å; C302-F305 PolarHBondContact O-N 3.11Å; C302-F305 VanDerWaalsContact O-N 3.13Å; P303-F305 VanDerWaalsContact C-N 3.3Å; P303-F305 PolarHBondContact O-N 3.44Å; F305-T309 HydrophobicContact CD1-CG2 3.81Å; F305-T309 HydrophobicContact CE1-CG2 3.78Å; F305-T309 WeakPolarHBondContact O-CB 3.37Å; F305-T309 WeakPolarHBondContact O-CG2 3.44Å; F305-T309 PolarHBondContact O-N 3.43Å; F305-T309 PolarHBondContact O-OG1 3.04Å |
| 306 | M | 46.5 | Very low | 50.8 | Low | 75 Ų | 75 | 118.3 Ų | 118.3 | 37% | 0.369 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.9 | -33.6 | 176.6 | -151.6 | -170.9 | -65.6 | 0 | 0 | 111.8 | P303 T309 R310 | P303-M306 PolarHBondContact O-N 2.89Å; M306-T309 WeakPolarHBondContact CA-OG1 3.34Å; M306-T309 PolarHBondContact O-OG1 3.32Å; M306-R310 VanDerWaalsContact O-CB 3.29Å; M306-R310 WeakPolarHBondContact O-CB 3.36Å; M306-R310 VanDerWaalsContact O-CG 3.28Å; M306-R310 WeakPolarHBondContact O-CG 3.3Å; M306-R310 PolarHBondContact O-N 2.63Å |
| 307 | F | 54.5 | Low | 51 | Low | 143 Ų | 143 | 116.6 Ų | 116.6 | 63% | 0.627 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.3 | -48.9 | 174.6 | -171.3 | -109.9 | 0 | 0 | 0 | 111.2 | P303 Q304 T309 R310 I311 | P303-F307 PolarHBondContact O-N 2.99Å; Q304-F307 PolarHBondContact O-N 2.61Å; F307-T309 PolarHBondContact O-N 3.48Å; F307-R310 PolarHBondContact O-N 3.16Å; F307-I311 HydrophobicContact CD1-CD1 3.58Å; F307-I311 HydrophobicContact CE1-CD1 3.28Å; F307-I311 HydrophobicContact CE1-CG1 4.5Å; F307-I311 HydrophobicContact CE2-CD1 4.27Å; F307-I311 HydrophobicContact CG-CD1 4.2Å; F307-I311 HydrophobicContact CZ-CD1 3.66Å; F307-I311 WeakPolarHBondContact O-CB 3.29Å; F307-I311 VanDerWaalsContact O-CG1 3.3Å; F307-I311 WeakPolarHBondContact O-CG1 3.29Å; F307-I311 PolarHBondContact O-N 3.4Å |
| 308 | L | 50.5 | Low | 50.9 | Low | 113 Ų | 113 | 119.8 Ų | 119.8 | 59% | 0.592 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.6 | -37.2 | 178.2 | -73.1 | 168.4 | 0 | 0 | 0 | 113.1 | Q304 I311 R312 | Q304-L308 PolarHBondContact O-N 3.08Å; L308-I311 PolarHBondContact O-N 2.93Å; L308-R312 WeakPolarHBondContact O-CB 3.42Å; L308-R312 PolarHBondContact O-N 2.74Å |
| 309 | T | 52 | Low | 50.8 | Low | 60 Ų | 60 | 121 Ų | 121 | 37% | 0.368 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -74.3 | -33.1 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 113 | F305 M306 F307 R312 K313 | F305-T309 HydrophobicContact CD1-CG2 3.81Å; F305-T309 HydrophobicContact CE1-CG2 3.78Å; F305-T309 WeakPolarHBondContact O-CB 3.37Å; F305-T309 WeakPolarHBondContact O-CG2 3.44Å; F305-T309 PolarHBondContact O-N 3.43Å; F305-T309 PolarHBondContact O-OG1 3.04Å; M306-T309 WeakPolarHBondContact CA-OG1 3.34Å; M306-T309 PolarHBondContact O-OG1 3.32Å; F307-T309 PolarHBondContact O-N 3.48Å; T309-R312 PolarHBondContact O-N 3.37Å; T309-K313 WeakPolarHBondContact O-CB 3.4Å; T309-K313 PolarHBondContact O-N 3.34Å |
| 310 | R | 55.3 | Low | 50.8 | Low | 168 Ų | 168 | 126 Ų | 126 | 63% | 0.634 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.3 | -41 | 170.1 | -79.4 | 178.9 | -179 | 171.5 | 1.5 | 111.4 | M306 F307 K313 K314 | M306-R310 VanDerWaalsContact O-CB 3.29Å; M306-R310 WeakPolarHBondContact O-CB 3.36Å; M306-R310 VanDerWaalsContact O-CG 3.28Å; M306-R310 WeakPolarHBondContact O-CG 3.3Å; M306-R310 PolarHBondContact O-N 2.63Å; F307-R310 PolarHBondContact O-N 3.16Å; R310-K313 PolarHBondContact O-N 2.86Å; R310-K314 WeakPolarHBondContact O-CB 3.46Å; R310-K314 PolarHBondContact O-N 2.94Å |
| 311 | I | 59.8 | Low | 50.2 | Low | 66 Ų | 66 | 123.4 Ų | 123.4 | 34% | 0.338 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.2 | -47 | 172.8 | -70.7 | 169.7 | 0 | 0 | 0 | 109.9 | F307 L308 K313 K314 I315 | F307-I311 HydrophobicContact CD1-CD1 3.58Å; F307-I311 HydrophobicContact CE1-CD1 3.28Å; F307-I311 HydrophobicContact CE1-CG1 4.5Å; F307-I311 HydrophobicContact CE2-CD1 4.27Å; F307-I311 HydrophobicContact CG-CD1 4.2Å; F307-I311 HydrophobicContact CZ-CD1 3.66Å; F307-I311 WeakPolarHBondContact O-CB 3.29Å; F307-I311 VanDerWaalsContact O-CG1 3.3Å; F307-I311 WeakPolarHBondContact O-CG1 3.29Å; F307-I311 PolarHBondContact O-N 3.4Å; L308-I311 PolarHBondContact O-N 2.93Å; I311-K313 PolarHBondContact O-N 3.19Å; I311-K314 PolarHBondContact O-N 3.39Å; I311-K314 VanDerWaalsContact O-N 3.17Å; I311-I315 HydrophobicContact CG2-CD1 3.56Å; I311-I315 HydrophobicContact CG2-CG1 4.2Å; I311-I315 WeakPolarHBondContact O-CB 3.18Å; I311-I315 VanDerWaalsContact O-CG1 3.28Å; I311-I315 WeakPolarHBondContact O-CG1 3.17Å; I311-I315 PolarHBondContact O-N 2.78Å |
| 312 | R | 61.1 | Low | 49.2 | Very low | 174 Ų | 174 | 122.8 Ų | 122.8 | 66% | 0.657 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.7 | -37.4 | 177.5 | -168.4 | 171.3 | -176.9 | 150.7 | 0.6 | 113 | L308 T309 N316 | L308-R312 WeakPolarHBondContact O-CB 3.42Å; L308-R312 PolarHBondContact O-N 2.74Å; T309-R312 PolarHBondContact O-N 3.37Å; R312-N316 VanDerWaalsContact O-CB 3.24Å; R312-N316 WeakPolarHBondContact O-CB 3.29Å; R312-N316 PolarHBondContact O-N 3.35Å |
| 313 | K | 51 | Low | 48.8 | Very low | 163 Ų | 163 | 122.9 Ų | 122.9 | 71% | 0.709 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.3 | -42.4 | 172 | -96.1 | -173.7 | 175.9 | -179.2 | 0 | 111.6 | T309 R310 I311 N316 L317 | T309-K313 WeakPolarHBondContact O-CB 3.4Å; T309-K313 PolarHBondContact O-N 3.34Å; R310-K313 PolarHBondContact O-N 2.86Å; I311-K313 PolarHBondContact O-N 3.19Å; K313-N316 PolarHBondContact O-N 2.94Å; K313-L317 VanDerWaalsContact O-CB 3.28Å; K313-L317 WeakPolarHBondContact O-CB 3.26Å; K313-L317 PolarHBondContact O-N 2.65Å |
| 314 | K | 54.4 | Low | 47.9 | Very low | 167 Ų | 167 | 123.6 Ų | 123.6 | 73% | 0.726 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.1 | -44.3 | 175 | -87.7 | -172.9 | 174.2 | -176.4 | 0 | 111.6 | R310 I311 L317 Y318 | R310-K314 WeakPolarHBondContact O-CB 3.46Å; R310-K314 PolarHBondContact O-N 2.94Å; I311-K314 PolarHBondContact O-N 3.39Å; I311-K314 VanDerWaalsContact O-N 3.17Å; K314-L317 PolarHBondContact O-N 3.03Å; K314-Y318 VanDerWaalsContact O-CB 3.22Å; K314-Y318 WeakPolarHBondContact O-CB 3.34Å; K314-Y318 PolarHBondContact O-N 2.84Å |
| 315 | I | 58.9 | Low | 47.1 | Very low | 90 Ų | 90 | 119.6 Ų | 119.6 | 46% | 0.462 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -45.7 | 175.6 | -68 | 169.5 | 0 | 0 | 0 | 110.2 | I311 Y318 Q319 | I311-I315 HydrophobicContact CG2-CD1 3.56Å; I311-I315 HydrophobicContact CG2-CG1 4.2Å; I311-I315 WeakPolarHBondContact O-CB 3.18Å; I311-I315 VanDerWaalsContact O-CG1 3.28Å; I311-I315 WeakPolarHBondContact O-CG1 3.17Å; I311-I315 PolarHBondContact O-N 2.78Å; I315-Y318 CarbonylContact O-C 3.38Å; I315-Y318 PolarHBondContact O-N 3.29Å; I315-Q319 HydrophobicContact CG2-CG 4.16Å; I315-Q319 VanDerWaalsContact O-CB 3.3Å; I315-Q319 WeakPolarHBondContact O-CB 3.25Å; I315-Q319 VanDerWaalsContact O-CG 3.23Å; I315-Q319 WeakPolarHBondContact O-CG 3.38Å; I315-Q319 PolarHBondContact O-N 3.49Å |
| 316 | N | 49.3 | Very low | 46.2 | Very low | 91 Ų | 91 | 116.7 Ų | 116.7 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.2 | -36 | 177.9 | -75 | -0.7 | 0 | 0 | 0 | 112.3 | R312 K313 Y318 F320 | R312-N316 VanDerWaalsContact O-CB 3.24Å; R312-N316 WeakPolarHBondContact O-CB 3.29Å; R312-N316 PolarHBondContact O-N 3.35Å; K313-N316 PolarHBondContact O-N 2.94Å; N316-Y318 VanDerWaalsContact C-N 3.31Å; N316-F320 WeakPolarHBondContact O-CA 3.32Å; N316-F320 WeakPolarHBondContact O-CB 3.36Å; N316-F320 PolarHBondContact O-N 2.91Å |
| 317 | L | 52 | Low | 45.5 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 60% | 0.597 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.4 | -33.4 | 174.6 | -145.7 | 100 | 0 | 0 | 0 | 111 | K313 K314 K321 | K313-L317 VanDerWaalsContact O-CB 3.28Å; K313-L317 WeakPolarHBondContact O-CB 3.26Å; K313-L317 PolarHBondContact O-N 2.65Å; K314-L317 PolarHBondContact O-N 3.03Å; L317-K321 WeakPolarHBondContact O-CB 3.28Å; L317-K321 WeakPolarHBondContact O-CG 3.47Å; L317-K321 PolarHBondContact O-N 2.84Å |
| 318 | Y | 41.7 | Very low | 44.3 | Very low | 178 Ų | 178 | 116.6 Ų | 116.6 | 70% | 0.698 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72 | -42.7 | 174.8 | -160.8 | -95.5 | 0 | 0 | 0 | 111.4 | K314 I315 N316 K321 K322 | K314-Y318 VanDerWaalsContact O-CB 3.22Å; K314-Y318 WeakPolarHBondContact O-CB 3.34Å; K314-Y318 PolarHBondContact O-N 2.84Å; I315-Y318 CarbonylContact O-C 3.38Å; I315-Y318 PolarHBondContact O-N 3.29Å; N316-Y318 VanDerWaalsContact C-N 3.31Å; Y318-K321 PolarHBondContact O-N 3.23Å; Y318-K322 WeakPolarHBondContact O-CB 3.3Å; Y318-K322 PolarHBondContact O-N 3.01Å |
| 319 | Q | 40.4 | Very low | 43 | Very low | 113 Ų | 113 | 117.1 Ų | 117.1 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.6 | -37.4 | 173.8 | -73.4 | -75.2 | -5.1 | 0 | 0 | 111.7 | I315 K322 S323 | I315-Q319 HydrophobicContact CG2-CG 4.16Å; I315-Q319 VanDerWaalsContact O-CB 3.3Å; I315-Q319 WeakPolarHBondContact O-CB 3.25Å; I315-Q319 VanDerWaalsContact O-CG 3.23Å; I315-Q319 WeakPolarHBondContact O-CG 3.38Å; I315-Q319 PolarHBondContact O-N 3.49Å; Q319-K322 PolarHBondContact O-N 3.38Å; Q319-S323 WeakPolarHBondContact O-CB 3.26Å; Q319-S323 PolarHBondContact O-N 3.45Å |
| 320 | F | 45.1 | Very low | 42.2 | Very low | 133 Ų | 133 | 117.4 Ų | 117.4 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -75.2 | -35.3 | 176 | -165.4 | -94.5 | 0 | 0 | 0 | 111.9 | N316 S323 K324 | N316-F320 WeakPolarHBondContact O-CA 3.32Å; N316-F320 WeakPolarHBondContact O-CB 3.36Å; N316-F320 PolarHBondContact O-N 2.91Å; F320-S323 PolarHBondContact O-N 3.42Å; F320-K324 HydrophobicContact CD1-CD 4.48Å; F320-K324 HydrophobicContact CE1-CD 4.01Å; F320-K324 HydrophobicContact CE1-CG 4.28Å; F320-K324 WeakPolarHBondContact O-CB 3.34Å; F320-K324 PolarHBondContact O-N 3.34Å |
| 321 | K | 35.5 | Very low | 41 | Very low | 150 Ų | 150 | 114.6 Ų | 114.6 | 65% | 0.652 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.5 | -39 | 168.2 | -88.1 | -171.8 | 171.6 | -173.6 | 0 | 111.7 | L317 Y318 K324 S325 | L317-K321 WeakPolarHBondContact O-CB 3.28Å; L317-K321 WeakPolarHBondContact O-CG 3.47Å; L317-K321 PolarHBondContact O-N 2.84Å; Y318-K321 PolarHBondContact O-N 3.23Å; K321-K324 PolarHBondContact O-N 3.05Å; K321-S325 VanDerWaalsContact O-CB 3.25Å; K321-S325 WeakPolarHBondContact O-CB 3.48Å; K321-S325 PolarHBondContact O-N 2.84Å |
| 322 | K | 32.2 | Very low | 39.6 | Very low | 134 Ų | 134 | 116.7 Ų | 116.7 | 58% | 0.583 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.8 | -40 | 173.7 | -169.7 | 176.1 | -178.1 | -179 | 0 | 110.7 | Y318 Q319 S325 S326 | Y318-K322 WeakPolarHBondContact O-CB 3.3Å; Y318-K322 PolarHBondContact O-N 3.01Å; Q319-K322 PolarHBondContact O-N 3.38Å; K322-S325 PolarHBondContact O-N 2.59Å; K322-S326 WeakPolarHBondContact O-CB 3.29Å; K322-S326 PolarHBondContact O-N 3.41Å |
| 323 | S | 37 | Very low | 38.1 | Very low | 59 Ų | 59 | 114 Ų | 114 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.4 | -39 | 176 | 179.8 | 0 | 0 | 0 | 0 | 112 | Q319 F320 S326 Q327 | Q319-S323 WeakPolarHBondContact O-CB 3.26Å; Q319-S323 PolarHBondContact O-N 3.45Å; F320-S323 PolarHBondContact O-N 3.42Å; S323-S326 PolarHBondContact O-N 3.15Å; S323-Q327 VanDerWaalsContact O-CB 3.3Å; S323-Q327 WeakPolarHBondContact O-CB 3.33Å; S323-Q327 PolarHBondContact O-N 2.85Å |
| 324 | K | 31.8 | Very low | 37.2 | Very low | 122 Ų | 122 | 110.3 Ų | 110.3 | 53% | 0.53 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 170.5 | -88.7 | -167.6 | 170.1 | -171.7 | 0 | 113.3 | F320 K321 S326 N328 | F320-K324 HydrophobicContact CD1-CD 4.48Å; F320-K324 HydrophobicContact CE1-CD 4.01Å; F320-K324 HydrophobicContact CE1-CG 4.28Å; F320-K324 WeakPolarHBondContact O-CB 3.34Å; F320-K324 PolarHBondContact O-N 3.34Å; K321-K324 PolarHBondContact O-N 3.05Å; K324-S326 VanDerWaalsContact C-N 3.33Å; K324-N328 WeakPolarHBondContact O-CB 3.38Å; K324-N328 VanDerWaalsContact O-CG 3.26Å; K324-N328 PolarHBondContact O-N 3.25Å; K324-N328 PolarHBondContact O-OD1 2.65Å |
| 325 | S | 30.2 | Very low | 36 | Very low | 72 Ų | 72 | 104.2 Ų | 104.2 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67 | -37.5 | 173.4 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | K321 K322 H329 | K321-S325 VanDerWaalsContact O-CB 3.25Å; K321-S325 WeakPolarHBondContact O-CB 3.48Å; K321-S325 PolarHBondContact O-N 2.84Å; K322-S325 PolarHBondContact O-N 2.59Å; S325-H329 WeakPolarHBondContact O-CB 3.32Å; S325-H329 PolarHBondContact O-N 2.85Å |
| 326 | S | 32.1 | Very low | 34.4 | Very low | 66 Ų | 66 | 105.2 Ų | 105.2 | 46% | 0.462 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -77.5 | -35.2 | 178.9 | -158.5 | 0 | 0 | 0 | 0 | 111.5 | K322 S323 K324 H329 V330 | K322-S326 WeakPolarHBondContact O-CB 3.29Å; K322-S326 PolarHBondContact O-N 3.41Å; S323-S326 PolarHBondContact O-N 3.15Å; K324-S326 VanDerWaalsContact C-N 3.33Å; S326-H329 PolarHBondContact O-N 2.98Å; S326-V330 WeakPolarHBondContact O-CB 3.38Å; S326-V330 WeakPolarHBondContact O-CG2 3.48Å; S326-V330 PolarHBondContact O-N 2.8Å |
| 327 | Q | 31 | Very low | 33.4 | Very low | 113 Ų | 113 | 107.6 Ų | 107.6 | 53% | 0.528 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 169.9 | -99.9 | 175.4 | -35.3 | 0 | 0 | 111.1 | S323 H329 V330 I331 | S323-Q327 VanDerWaalsContact O-CB 3.3Å; S323-Q327 WeakPolarHBondContact O-CB 3.33Å; S323-Q327 PolarHBondContact O-N 2.85Å; Q327-H329 VanDerWaalsContact C-N 3.3Å; Q327-H329 PolarHBondContact O-N 3Å; Q327-V330 PolarHBondContact O-N 3.17Å; Q327-I331 HydrophobicContact CB-CD1 4.35Å; Q327-I331 VanDerWaalsContact O-CB 3.22Å; Q327-I331 WeakPolarHBondContact O-CB 2.93Å; Q327-I331 VanDerWaalsContact O-CD1 3.25Å; Q327-I331 WeakPolarHBondContact O-CD1 3.44Å; Q327-I331 WeakPolarHBondContact O-CG1 3.29Å; Q327-I331 PolarHBondContact O-N 2.81Å |
| 328 | N | 28.3 | Very low | 32.3 | Very low | 102 Ų | 102 | 107 Ų | 107 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 173 | -74.9 | 4.2 | 0 | 0 | 0 | 111.6 | K324 I332 | K324-N328 WeakPolarHBondContact O-CB 3.38Å; K324-N328 VanDerWaalsContact O-CG 3.26Å; K324-N328 PolarHBondContact O-N 3.25Å; K324-N328 PolarHBondContact O-OD1 2.65Å; N328-I332 WeakPolarHBondContact O-CB 3.41Å; N328-I332 VanDerWaalsContact O-CD1 3.25Å; N328-I332 WeakPolarHBondContact O-CD1 3.36Å; N328-I332 WeakPolarHBondContact O-CG1 3.24Å; N328-I332 PolarHBondContact O-N 3.43Å; N328-I332 VanDerWaalsContact O-N 3.17Å |
| 329 | H | 24.4 | Very low | 31.6 | Very low | 125 Ų | 125 | 104.5 Ų | 104.5 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.1 | -39 | 175.4 | -116.2 | -80.5 | 0 | 0 | 0 | 113 | S325 S326 Q327 I332 E333 | S325-H329 WeakPolarHBondContact O-CB 3.32Å; S325-H329 PolarHBondContact O-N 2.85Å; S326-H329 PolarHBondContact O-N 2.98Å; Q327-H329 VanDerWaalsContact C-N 3.3Å; Q327-H329 PolarHBondContact O-N 3Å; H329-I332 PolarHBondContact O-N 3.15Å; H329-E333 PolarHBondContact O-N 2.93Å |
| 330 | V | 33.9 | Very low | 30.8 | Very low | 65 Ų | 65 | 107.4 Ų | 107.4 | 39% | 0.394 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74.6 | -35.5 | 178.7 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | S326 Q327 I332 E333 D334 | S326-V330 WeakPolarHBondContact O-CB 3.38Å; S326-V330 WeakPolarHBondContact O-CG2 3.48Å; S326-V330 PolarHBondContact O-N 2.8Å; Q327-V330 PolarHBondContact O-N 3.17Å; V330-I332 VanDerWaalsContact C-N 3.29Å; V330-I332 PolarHBondContact O-N 3.31Å; V330-E333 PolarHBondContact O-N 2.86Å; V330-D334 WeakPolarHBondContact O-CB 3.37Å; V330-D334 PolarHBondContact O-N 3.26Å |
| 331 | I | 31.4 | Very low | 30.1 | Very low | 109 Ų | 109 | 104.4 Ų | 104.4 | 56% | 0.559 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.2 | -30.5 | 174.2 | -66 | 162.4 | 0 | 0 | 0 | 111.1 | Q327 G335 | Q327-I331 HydrophobicContact CB-CD1 4.35Å; Q327-I331 VanDerWaalsContact O-CB 3.22Å; Q327-I331 WeakPolarHBondContact O-CB 2.93Å; Q327-I331 VanDerWaalsContact O-CD1 3.25Å; Q327-I331 WeakPolarHBondContact O-CD1 3.44Å; Q327-I331 WeakPolarHBondContact O-CG1 3.29Å; Q327-I331 PolarHBondContact O-N 2.81Å; I331-G335 WeakPolarHBondContact O-CA 3.44Å; I331-G335 PolarHBondContact O-N 3.06Å |
| 332 | I | 31.1 | Very low | 29.7 | Very low | 110 Ų | 110 | 103.6 Ų | 103.6 | 56% | 0.564 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -76 | -37.7 | 174.7 | -66.1 | 165.2 | 0 | 0 | 0 | 111 | N328 H329 V330 M336 | N328-I332 WeakPolarHBondContact O-CB 3.41Å; N328-I332 VanDerWaalsContact O-CD1 3.25Å; N328-I332 WeakPolarHBondContact O-CD1 3.36Å; N328-I332 WeakPolarHBondContact O-CG1 3.24Å; N328-I332 PolarHBondContact O-N 3.43Å; N328-I332 VanDerWaalsContact O-N 3.17Å; H329-I332 PolarHBondContact O-N 3.15Å; V330-I332 VanDerWaalsContact C-N 3.29Å; V330-I332 PolarHBondContact O-N 3.31Å; I332-M336 WeakPolarHBondContact O-CB 3.27Å; I332-M336 PolarHBondContact O-N 3.39Å |
| 333 | E | 28.4 | Very low | 29.5 | Very low | 118 Ų | 118 | 102.9 Ų | 102.9 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.2 | -43.3 | 175.6 | -88.2 | -171.8 | 148.8 | 0 | 0 | 113.4 | H329 V330 G335 M336 K337 | H329-E333 PolarHBondContact O-N 2.93Å; V330-E333 PolarHBondContact O-N 2.86Å; E333-G335 VanDerWaalsContact C-N 3.31Å; E333-M336 PolarHBondContact O-N 3.01Å; E333-K337 PolarHBondContact O-N 3.11Å |
| 334 | D | 31.4 | Very low | 29 | Very low | 85 Ų | 85 | 105.8 Ų | 105.8 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.1 | -32.5 | 175.8 | -74 | -21.7 | 0 | 0 | 0 | 111.2 | V330 N338 | V330-D334 WeakPolarHBondContact O-CB 3.37Å; V330-D334 PolarHBondContact O-N 3.26Å; D334-N338 WeakPolarHBondContact O-CB 3.41Å; D334-N338 PolarHBondContact O-N 3.04Å; D334-N338 PolarHBondContact O-ND2 3.25Å |
| 335 | G | 31 | Very low | 29 | Very low | 40 Ų | 40 | 105.3 Ų | 105.3 | 41% | 0.412 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63 | -40.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I331 E333 L339 | I331-G335 WeakPolarHBondContact O-CA 3.44Å; I331-G335 PolarHBondContact O-N 3.06Å; E333-G335 VanDerWaalsContact C-N 3.31Å; G335-L339 WeakPolarHBondContact O-CB 3.49Å; G335-L339 PolarHBondContact O-N 3.41Å; G335-L339 VanDerWaalsContact O-N 3.12Å |
| 336 | M | 23.7 | Very low | 28.7 | Very low | 110 Ų | 110 | 110.8 Ų | 110.8 | 54% | 0.542 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.4 | -40.8 | 175.9 | -100.6 | 178.2 | 65 | 0 | 0 | 112.7 | I332 E333 N338 L339 Y340 | I332-M336 WeakPolarHBondContact O-CB 3.27Å; I332-M336 PolarHBondContact O-N 3.39Å; E333-M336 PolarHBondContact O-N 3.01Å; M336-N338 VanDerWaalsContact C-N 3.35Å; M336-N338 PolarHBondContact O-N 2.86Å; M336-L339 PolarHBondContact O-N 2.93Å; M336-Y340 HydrophobicContact CE-CE2 4.42Å; M336-Y340 WeakPolarHBondContact O-CD2 3.48Å; M336-Y340 PolarHBondContact O-N 3.42Å |
| 337 | K | 28.9 | Very low | 28.2 | Very low | 142 Ų | 142 | 116.3 Ų | 116.3 | 62% | 0.617 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.8 | -40.2 | 177.6 | -79.7 | -179.7 | 177.9 | 175.1 | 0 | 112.2 | E333 L339 Y340 S341 | E333-K337 PolarHBondContact O-N 3.11Å; K337-L339 VanDerWaalsContact C-N 3.33Å; K337-Y340 PolarHBondContact O-N 2.84Å; K337-S341 PolarHBondContact O-N 3.48Å; K337-S341 VanDerWaalsContact O-N 3.12Å; K337-S341 PolarHBondContact O-OG 3.32Å |
| 338 | N | 28.1 | Very low | 27.9 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 54% | 0.54 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -75.1 | -21.8 | 176.7 | -72.2 | -19.6 | 0 | 0 | 0 | 113.3 | D334 M336 S341 N342 | D334-N338 WeakPolarHBondContact O-CB 3.41Å; D334-N338 PolarHBondContact O-N 3.04Å; D334-N338 PolarHBondContact O-ND2 3.25Å; M336-N338 VanDerWaalsContact C-N 3.35Å; M336-N338 PolarHBondContact O-N 2.86Å; N338-S341 PolarHBondContact O-OG 3.2Å; N338-N342 PolarHBondContact O-ND2 3.04Å |
| 339 | L | 28 | Very low | 27.5 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -77.1 | -35.3 | 171.5 | -149.6 | 87.9 | 0 | 0 | 0 | 111.5 | G335 M336 K337 V343 | G335-L339 WeakPolarHBondContact O-CB 3.49Å; G335-L339 PolarHBondContact O-N 3.41Å; G335-L339 VanDerWaalsContact O-N 3.12Å; M336-L339 PolarHBondContact O-N 2.93Å; K337-L339 VanDerWaalsContact C-N 3.33Å; L339-V343 WeakPolarHBondContact O-CG2 3.3Å |
| 340 | Y | 23.2 | Very low | 27.5 | Very low | 174 Ų | 174 | 119.2 Ų | 119.2 | 68% | 0.682 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.5 | -29.5 | 179.9 | -95.3 | -89.1 | 0 | 0 | 0 | 113.6 | M336 K337 | M336-Y340 HydrophobicContact CE-CE2 4.42Å; M336-Y340 WeakPolarHBondContact O-CD2 3.48Å; M336-Y340 PolarHBondContact O-N 3.42Å; K337-Y340 PolarHBondContact O-N 2.84Å |
| 341 | S | 31.7 | Very low | 26.9 | Very low | 69 Ų | 69 | 123.2 Ų | 123.2 | 48% | 0.483 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -78.5 | -27 | 177.1 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | K337 N338 V343 | K337-S341 PolarHBondContact O-N 3.48Å; K337-S341 VanDerWaalsContact O-N 3.12Å; K337-S341 PolarHBondContact O-OG 3.32Å; N338-S341 PolarHBondContact O-OG 3.2Å; S341-V343 VanDerWaalsContact C-N 3.32Å; S341-V343 PolarHBondContact O-N 3.34Å |
| 342 | N | 27 | Very low | 26.5 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 72% | 0.717 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -4.9 | -177.3 | -74.7 | -24.6 | 0 | 0 | 0 | 114.3 | N338 | N338-N342 PolarHBondContact O-ND2 3.04Š|
| 343 | V | 26.6 | Very low | 26 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 72% | 0.721 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -11.7 | 177.8 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | L339 S341 | L339-V343 WeakPolarHBondContact O-CG2 3.3Å; S341-V343 VanDerWaalsContact C-N 3.32Å; S341-V343 PolarHBondContact O-N 3.34Å |
| 344 | V | 27.7 | Very low | 25.7 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -104.6 | -7.9 | -169.1 | 179.8 | 0 | 0 | 0 | 0 | 115 | ||
| 345 | S | 30 | Very low | 25.2 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | trans | -134.7 | 70.1 | 179.7 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 346 | E | 23.9 | Very low | 24.7 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | trans | -89.8 | 95.9 | 166.8 | -169.4 | 172.9 | -148.9 | 0 | 0 | 108.6 | ||||
| 347 | Q | 22.5 | Very low | 24.7 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | trans | -168.2 | 123.2 | 148.5 | -108.3 | 169.9 | 27.9 | 0 | 0 | 112 | ||||
| 348 | V | 24.1 | Very low | 24.3 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 87% | 0.867 | 75% | 0.749 | S | S | * | * | trans | 89 | 99 | 163.9 | -162.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 349 | L | 20 | Very low | 24.1 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | -67.2 | -177.2 | 166.9 | -148.2 | 86.7 | 0 | 0 | 0 | 112.7 | ||||
| 350 | P | 24.6 | Very low | 23.8 | Very low | 99 Ų | 99 | 138 Ų | 138 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | -120.1 | 158.6 | -50.4 | 24.4 | -7.3 | 0 | 0 | 0 | 112.8 | |||||
| 351 | E | 22.1 | Very low | 23.8 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | 170.7 | 131.1 | 107.1 | -96.8 | -156.4 | 144.9 | 0 | 0 | 113 | |||||
| 352 | K | 22.7 | Very low | 23.3 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | trans | 74.1 | 78.5 | 149.8 | -66.7 | 169.4 | -176.5 | 140.4 | 0 | 118.6 | ||||
| 353 | T | 21 | Very low | 23.2 | Very low | 141 Ų | 141 | 138 Ų | 138 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -84.2 | 123.6 | 148.1 | 8.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 354 | V | 21 | Very low | 22.8 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | -121.5 | 106.7 | 158.1 | 174.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 355 | L | 21.9 | Very low | 22.5 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -98.8 | 126 | 169.9 | -168.4 | 93.2 | 0 | 0 | 0 | 107.2 | ||||
| 356 | S | 20.1 | Very low | 22 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | -140.4 | 104.1 | 163 | 65.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 357 | A | 23.8 | Very low | 21.8 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -83.5 | 122.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 358 | T | 20 | Very low | 21.6 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -92.3 | 102.5 | 176.4 | 51 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 359 | A | 24.9 | Very low | 21.4 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -98 | 116.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | V361 | A359-V361 PolarHBondContact O-N 3.33Š| ||
| 360 | K | 20 | Very low | 21.5 | Very low | 209 Ų | 209 | 145.7 Ų | 145.7 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -71.8 | 117.1 | 172.4 | -89.9 | 173.1 | 171.3 | 170.2 | 0 | 110.1 | ||||
| 361 | V | 25 | Very low | 21.3 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -124.9 | 124.5 | 159.2 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | A359 | A359-V361 PolarHBondContact O-N 3.33Š| ||
| 362 | N | 19.7 | Very low | 21.2 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -69.3 | 135.3 | 172.6 | -72 | -22 | 0 | 0 | 0 | 110.3 | ||||
| 363 | G | 25.1 | Very low | 21.1 | Very low | 76 Ų | 76 | 146.4 Ų | 146.4 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | 163.7 | 103.3 | 168 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 364 | N | 18.4 | Very low | 21 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -50.6 | 137.6 | 170.9 | -59.5 | -22.6 | 0 | 0 | 0 | 111.6 | ||||
| 365 | V | 21.7 | Very low | 20.9 | Very low | 148 Ų | 148 | 147 Ų | 147 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | -164.1 | 138.4 | 126 | 165.9 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 366 | E | 19.3 | Very low | 20.8 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | -59.9 | 158.7 | 178 | -93.4 | 172.7 | 130.9 | 0 | 0 | 117.9 | ||||
| 367 | L | 19.9 | Very low | 20.7 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | 87.1 | 116.8 | 140.6 | -75.2 | 158.4 | 0 | 0 | 0 | 121.3 | ||||
| 368 | R | 19.1 | Very low | 20.5 | Very low | 211 Ų | 211 | 147 Ų | 147 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | 74.4 | 107.2 | 134.3 | -84.1 | 178.8 | 179.9 | 176.6 | 0.3 | 119.9 | ||||
| 369 | D | 20.2 | Very low | 20.5 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | 47.1 | 118.7 | 117.8 | -69.4 | -36.8 | 0 | 0 | 0 | 119.8 | |||||
| 370 | R | 20.4 | Very low | 20.3 | Very low | 219 Ų | 219 | 150.3 Ų | 150.3 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | 83.1 | 118.5 | 140.5 | -76 | -171.8 | 176.7 | -178.1 | -0.5 | 118.5 | ||||
| 371 | E | 20.7 | Very low | 20.4 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 60% | 0.603 | 77% | 0.772 | S | S | * | * | trans | 90.9 | 118 | 131.1 | -77.5 | -176.7 | 114 | 0 | 0 | 118.5 | ||||
| 372 | K | 19.7 | Very low | 20.4 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | 62.1 | 92.2 | 134.1 | -67 | 170.5 | 176.2 | 151.1 | 0 | 116.3 | ||||
| 373 | V | 21.2 | Very low | 20.6 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | trans | -143.2 | 89.8 | 148.7 | -174.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 374 | T | 19.6 | Very low | 20.5 | Very low | 120 Ų | 120 | 154.9 Ų | 154.9 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | 36.1 | 103.9 | 101.1 | 34.6 | 0 | 0 | 0 | 0 | 113.9 | P376 | T374-P376 WeakPolarHBondContact O-CD 3.35Š| |||
| 375 | I | 17.8 | Very low | 21.1 | Very low | 173 Ų | 173 | 155.3 Ų | 155.3 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -71.4 | 117 | 172.5 | -60.2 | 164 | 0 | 0 | 0 | 108.3 | ||||
| 376 | P | 20.1 | Very low | 21.3 | Very low | 106 Ų | 106 | 155.1 Ų | 155.1 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | trans | -108 | 113.8 | 169.8 | 19.4 | 2.9 | 0 | 0 | 0 | 109.8 | T374 | T374-P376 WeakPolarHBondContact O-CD 3.35Š| ||
| 377 | N | 18.6 | Very low | 21.5 | Very low | 133 Ų | 133 | 154.6 Ų | 154.6 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | 40.7 | 121.6 | 124.8 | -74.5 | -12.1 | 0 | 0 | 0 | 120.4 | |||||
| 378 | I | 19.1 | Very low | 21.9 | Very low | 126 Ų | 126 | 159.9 Ų | 159.9 | 65% | 0.646 | 78% | 0.783 | S | S | * | * | 63.5 | 115.9 | 123.1 | -52 | 165.1 | 0 | 0 | 0 | 116.1 | |||||
| 379 | H | 20.4 | Very low | 22.3 | Very low | 167 Ų | 167 | 158 Ų | 158 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | -175.6 | 108 | 108.9 | -107.7 | -69.9 | 0 | 0 | 0 | 111.6 | |||||
| 380 | V | 20.6 | Very low | 22.7 | Very low | 135 Ų | 135 | 159.1 Ų | 159.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -72.9 | 120.7 | 159 | 174.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 381 | S | 22.7 | Very low | 23 | Very low | 101 Ų | 101 | 155.1 Ų | 155.1 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -146.7 | 80.2 | 166.3 | 61.6 | 0 | 0 | 0 | 0 | 109.2 | K383 | S381-K383 PolarHBondContact O-N 3.44Š| ||
| 382 | D | 24 | Very low | 23.4 | Very low | 162 Ų | 162 | 153 Ų | 153 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -76.5 | 108.8 | 169 | -87.8 | -33.1 | 0 | 0 | 0 | 109.9 | ||||
| 383 | K | 23.7 | Very low | 23.7 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -112.4 | 113.8 | 161.2 | -87.5 | -179.2 | 177.6 | 172.7 | 0 | 108.7 | S381 | S381-K383 PolarHBondContact O-N 3.44Š| ||
| 384 | R | 23.7 | Very low | 23.6 | Very low | 225 Ų | 225 | 152.5 Ų | 152.5 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | trans | 73 | 92 | 135.8 | -162.2 | -168.3 | -76.1 | -171.8 | -5 | 116.8 | ||||
| 385 | I | 31.4 | Very low | 23.9 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -138.5 | 118 | 140.6 | -60.2 | -175.5 | 0 | 0 | 0 | 109.6 | ||||
| 386 | N | 25.5 | Very low | 24.2 | Very low | 144 Ų | 144 | 152.4 Ų | 152.4 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -71.7 | 141.5 | 179.6 | -78.9 | -25.6 | 0 | 0 | 0 | 113.1 | ||||
| 387 | N | 24.2 | Very low | 24.3 | Very low | 155 Ų | 155 | 155.1 Ų | 155.1 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -11.4 | 120 | 152.5 | -67.2 | -16.7 | 0 | 0 | 0 | 117 | ||||
| 388 | R | 27 | Very low | 24.7 | Very low | 240 Ų | 240 | 154.5 Ų | 154.5 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -126.2 | 112 | 136.8 | -79.3 | -172.7 | 175.2 | 177.6 | -1.4 | 108.2 | I390 | R388-I390 PolarHBondContact O-N 3.22Š| ||
| 389 | Q | 28.6 | Very low | 25.1 | Very low | 172 Ų | 172 | 153.6 Ų | 153.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -50.8 | 124 | 170 | -79.7 | 166 | -51.6 | 0 | 0 | 109.9 | N391 | Q389-N391 PolarHBondContact O-N 3.5Š| ||
| 390 | I | 28.6 | Very low | 25.5 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -79.9 | 94.2 | 166.4 | -63.1 | 172.1 | 0 | 0 | 0 | 105.9 | R388 | R388-I390 PolarHBondContact O-N 3.22Š| ||
| 391 | N | 26.6 | Very low | 25.7 | Very low | 135 Ų | 135 | 154.1 Ų | 154.1 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -80.5 | 124.8 | 164.5 | -75.2 | -16.3 | 0 | 0 | 0 | 108.4 | Q389 | Q389-N391 PolarHBondContact O-N 3.5Š| ||
| 392 | A | 27.7 | Very low | 25.9 | Very low | 85 Ų | 85 | 156.9 Ų | 156.9 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | trans | -58.9 | 144 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K394 | A392-K394 PolarHBondContact O-N 2.8Å; A392-K394 VanDerWaalsContact O-N 3.08Å | ||
| 393 | P | 25.9 | Very low | 26 | Very low | 121 Ų | 121 | 156.9 Ų | 156.9 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -71.2 | 106.8 | 179.7 | 27.7 | -31.8 | 0 | 0 | 0 | 110.8 | I395 | P393-I395 PolarHBondContact O-N 3.06Š| ||
| 394 | K | 20.4 | Very low | 26 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 73% | 0.726 | 79% | 0.791 | S | S | * | * | trans | -72.9 | 104.8 | 165.4 | -167.5 | -173.9 | -177.3 | -146.8 | 0 | 107.6 | A392 E396 | A392-K394 PolarHBondContact O-N 2.8Å; A392-K394 VanDerWaalsContact O-N 3.08Å; K394-E396 IonicContact NZ-OE1 2.82Å; K394-E396 PolarHBondContact NZ-OE1 3.37Å; K394-E396 PolarHBondContact O-N 3.44Å | ||
| 395 | I | 25.9 | Very low | 26 | Very low | 158 Ų | 158 | 150.7 Ų | 150.7 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -85.5 | 103 | 170.9 | -63 | 174 | 0 | 0 | 0 | 106.5 | P393 | P393-I395 PolarHBondContact O-N 3.06Š| ||
| 396 | E | 24.1 | Very low | 25.8 | Very low | 134 Ų | 134 | 150.4 Ų | 150.4 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | trans | -75.9 | 132.3 | -178.3 | -124 | 156.9 | -151 | 0 | 0 | 110.9 | K394 | K394-E396 IonicContact NZ-OE1 2.82Å; K394-E396 PolarHBondContact NZ-OE1 3.37Å; K394-E396 PolarHBondContact O-N 3.44Å | ||
| 397 | I | 20.7 | Very low | 25.6 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -86.3 | 115.6 | 166.1 | -63.2 | 168.8 | 0 | 0 | 0 | 106.6 | ||||
| 398 | T | 28.4 | Very low | 25.6 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -120.1 | 102.9 | 156.7 | 50.9 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 399 | S | 26.4 | Very low | 25.4 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 77.6 | 134.1 | 83.3 | 176.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 400 | P | 29 | Very low | 25.2 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | -100.1 | 139.5 | -157.3 | 35.9 | -25.8 | 0 | 0 | 0 | 113.2 | ||||
| 401 | K | 25.6 | Very low | 24.8 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -162.4 | 154.1 | 153.1 | -103.8 | 168.9 | -174.6 | -177.1 | 0 | 107 | ||||
| 402 | D | 26.7 | Very low | 24.6 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | 94.9 | 45.7 | -173.8 | -43.4 | -15.3 | 0 | 0 | 0 | 113.5 | ||||
| 403 | I | 25.1 | Very low | 24.3 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -88 | 101.7 | 133.3 | -65 | 171 | 0 | 0 | 0 | 103.9 | ||||
| 404 | D | 24.5 | Very low | 24 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 152 | 74.9 | 159.4 | -78 | -17.2 | 0 | 0 | 0 | 107.1 | ||
| 405 | D | 24.7 | Very low | 24.1 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 174.9 | 70.3 | 154.3 | -90 | -18.4 | 0 | 0 | 0 | 109.7 | ||
| 406 | L | 26.8 | Very low | 23.8 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -168.2 | 41.8 | 145.8 | -129.2 | 68.5 | 0 | 0 | 0 | 113.3 | ||
| 407 | N | 21.6 | Very low | 23.6 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -119.4 | 70 | 157.3 | -99.5 | -10.3 | 0 | 0 | 0 | 107.8 | ||
| 408 | S | 22.5 | Very low | 23.6 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | -179.4 | 68.1 | 162.4 | 48.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 409 | H | 23.5 | Very low | 23.2 | Very low | 165 Ų | 165 | 142 Ų | 142 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | -149.1 | 99 | 153.8 | -93.8 | -59 | 0 | 0 | 0 | 110.8 | ||||
| 410 | L | 24.6 | Very low | 22.9 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 62% | 0.623 | 76% | 0.763 | S | S | * | * | trans | 69.5 | 101.2 | 138.9 | -56.1 | 151.9 | 0 | 0 | 0 | 113.8 | ||||
| 411 | D | 20.1 | Very low | 22.5 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | cis | 34.7 | 71.8 | 44.2 | -82.1 | -0.2 | 0 | 0 | 0 | 112.9 | ||||
| 412 | H | 23.1 | Very low | 22.2 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -123.7 | 122.4 | 148.4 | -92.4 | -58.4 | 0 | 0 | 0 | 110.9 | ||||
| 413 | S | 20.9 | Very low | 21.9 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | trans | -79 | 159.6 | -175.9 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 414 | S | 20.2 | Very low | 21.7 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | trans | 65 | 113 | 133 | 64.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 415 | Y | 21.2 | Very low | 21.7 | Very low | 231 Ų | 231 | 138.6 Ų | 138.6 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | -151.4 | 102 | 125.1 | -82.4 | -77.2 | 0 | 0 | 0 | 106.3 | |||||
| 416 | L | 19.6 | Very low | 21.6 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | 50.5 | 103.4 | 82.2 | -91.9 | 158.2 | 0 | 0 | 0 | 114.9 | |||||
| 417 | H | 20.7 | Very low | 21.3 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | 169.3 | 143.1 | 109.6 | -100.4 | -69.7 | 0 | 0 | 0 | 114.4 | |||||
| 418 | G | 21.7 | Very low | 21.3 | Very low | 60 Ų | 60 | 132.9 Ų | 132.9 | 62% | 0.619 | 75% | 0.746 | S | S | * | * | trans | 106.5 | 80.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 419 | D | 19.8 | Very low | 21.2 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | 68.4 | 102.7 | 86.1 | -64.2 | -27.4 | 0 | 0 | 0 | 112.7 | |||||
| 420 | E | 19.5 | Very low | 21.2 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | 91.6 | 105.1 | 98.8 | -79.6 | -165.4 | 166.2 | 0 | 0 | 112.8 | |||||
| 421 | N | 20.4 | Very low | 21.1 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | 166.7 | 112 | 105 | -86.5 | -47 | 0 | 0 | 0 | 111.2 | |||||
| 422 | V | 18.8 | Very low | 21.1 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | -86.4 | 119.4 | 158.4 | 170.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 423 | S | 21.8 | Very low | 21.2 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -137.8 | 104.8 | 161 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 424 | T | 20.4 | Very low | 21.5 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -63.4 | 124.1 | 154.7 | 43.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 425 | V | 23.9 | Very low | 21.9 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -140.1 | 126.9 | 155.8 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 426 | N | 21.6 | Very low | 22.1 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -65.8 | 157.4 | 174.9 | -78.4 | -37.2 | 0 | 0 | 0 | 114.5 | ||||
| 427 | N | 20.6 | Very low | 22.4 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | 44.5 | 116.2 | 139.4 | -63.3 | -16.3 | 0 | 0 | 0 | 119.8 | ||||
| 428 | G | 22 | Very low | 22.7 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -174.6 | 88.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113 | L430 | G428-L430 PolarHBondContact O-N 3.28Š| ||
| 429 | S | 21.3 | Very low | 22.9 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -50.9 | 125.8 | 166.6 | 61 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 430 | L | 23.6 | Very low | 23.2 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -112.4 | 119.7 | 163.1 | -93.3 | 158.7 | 0 | 0 | 0 | 109 | G428 | G428-L430 PolarHBondContact O-N 3.28Š| ||
| 431 | R | 22.3 | Very low | 23.5 | Very low | 232 Ų | 232 | 151.6 Ų | 151.6 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | trans | -67.1 | 131.1 | -168.5 | -68.2 | 171.3 | 173.3 | 167.8 | -3.2 | 111 | S433 | R431-S433 PolarHBondContact O-N 2.97Š| ||
| 432 | L | 20.7 | Very low | 23.9 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 94% | 0.937 | 82% | 0.822 | S | S | * | * | trans | -54.9 | 114 | 162.6 | -115.8 | 88.1 | 0 | 0 | 0 | 109 | ||||
| 433 | S | 25.1 | Very low | 24.3 | Very low | 107 Ų | 107 | 150 Ų | 150 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | -78.9 | 127.1 | 167.7 | -161.5 | 0 | 0 | 0 | 0 | 109.1 | R431 D435 | R431-S433 PolarHBondContact O-N 2.97Å; S433-D435 PolarHBondContact O-N 3.46Å; S433-D435 VanDerWaalsContact O-N 3.13Å | ||
| 434 | S | 27 | Very low | 24.7 | Very low | 108 Ų | 108 | 153 Ų | 153 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -71.4 | 90 | -179.4 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 435 | D | 27.7 | Very low | 25.1 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | trans | -141.3 | 13.5 | 167.3 | -88.9 | -35.9 | 0 | 0 | 0 | 114.5 | S433 | S433-D435 PolarHBondContact O-N 3.46Å; S433-D435 VanDerWaalsContact O-N 3.13Å | ||
| 436 | F | 25.3 | Very low | 25.4 | Very low | 209 Ų | 209 | 150.1 Ų | 150.1 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | trans | -98.7 | 14.9 | -178.4 | -117.9 | -87.4 | 0 | 0 | 0 | 115.4 | ||||
| 437 | K | 26.1 | Very low | 25.6 | Very low | 200 Ų | 200 | 153.4 Ų | 153.4 | 87% | 0.87 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -98.9 | 12.3 | -172.5 | -131.9 | 177.7 | -173.7 | 178.6 | 0 | 116.6 | ||
| 438 | N | 27.2 | Very low | 26 | Very low | 155 Ų | 155 | 155.4 Ų | 155.4 | 83% | 0.829 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -128.5 | 20.3 | -177 | -85.7 | -11.6 | 0 | 0 | 0 | 117.3 | ||
| 439 | Y | 25.2 | Very low | 25.9 | Very low | 228 Ų | 228 | 163.8 Ų | 163.8 | 89% | 0.894 | 84% | 0.844 | S | S | * | * | trans | -113.9 | 17 | 171.8 | -84.1 | -77.1 | 0 | 0 | 0 | 115.4 | ||||
| 440 | L | 26.6 | Very low | 26.3 | Very low | 160 Ų | 160 | 163.4 Ų | 163.4 | 84% | 0.838 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -94.6 | 17.2 | 177.1 | -89.1 | 168.3 | 0 | 0 | 0 | 115.6 | ||
| 441 | N | 24.9 | Very low | 26.5 | Very low | 158 Ų | 158 | 160.3 Ų | 160.3 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | trans | -135.8 | 99.2 | 173.1 | -75.2 | -31.4 | 0 | 0 | 0 | 112.1 | ||||
| 442 | P | 29.3 | Very low | 26.7 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | trans | -74.3 | 153.5 | 160.1 | 31.2 | -29.6 | 0 | 0 | 0 | 110.3 | ||||
| 443 | P | 28.4 | Very low | 27.2 | Very low | 127 Ų | 127 | 154.3 Ų | 154.3 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -83.4 | 150.6 | -158.2 | 32.5 | -34.9 | 0 | 0 | 0 | 114.9 | G445 | P443-G445 PolarHBondContact O-N 3.35Š| ||
| 444 | D | 29 | Very low | 27.2 | Very low | 169 Ų | 169 | 154.5 Ų | 154.5 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | trans | -56.5 | 108.4 | 177.2 | -76.4 | -49.2 | 0 | 0 | 0 | 113.8 | ||||
| 445 | G | 30.3 | Very low | 27.2 | Very low | 75 Ų | 75 | 155.3 Ų | 155.3 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | -89 | 111.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P443 K447 | P443-G445 PolarHBondContact O-N 3.35Å; G445-K447 PolarHBondContact O-N 2.96Å | ||
| 446 | V | 28.6 | Very low | 26.9 | Very low | 129 Ų | 129 | 154 Ų | 154 | 78% | 0.782 | 83% | 0.833 | S | S | * | * | trans | -56.5 | 119.8 | -174.9 | 177 | 0 | 0 | 0 | 0 | 114.2 | K448 | V446-K448 PolarHBondContact O-N 3.23Š| ||
| 447 | K | 26.2 | Very low | 27 | Very low | 207 Ų | 207 | 153.2 Ų | 153.2 | 90% | 0.9 | 83% | 0.833 | S | S | * | * | trans | -68.6 | 105.1 | 169.7 | -67.5 | 175.3 | -179.6 | 172.9 | 0 | 111.2 | G445 | G445-K447 PolarHBondContact O-N 2.96Š| ||
| 448 | K | 28.5 | Very low | 26.8 | Very low | 200 Ų | 200 | 149.5 Ų | 149.5 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | trans | -89 | 112.5 | 168.9 | -77.4 | -175.7 | 178.2 | 177.4 | 0 | 111.3 | V446 | V446-K448 PolarHBondContact O-N 3.23Š| ||
| 449 | R | 21.5 | Very low | 26.4 | Very low | 247 Ų | 247 | 150.8 Ų | 150.8 | 93% | 0.932 | 83% | 0.832 | S | S | * | * | trans | -81.5 | 118.7 | 174.3 | -177.2 | -177 | -105.1 | 169 | -6.2 | 109.2 | ||||
| 450 | A | 28.6 | Very low | 26.5 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -94.8 | 111.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 451 | S | 27.5 | Very low | 26.3 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | trans | -80.8 | 147.4 | 168.6 | 41.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 452 | S | 27.3 | Very low | 26.3 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | trans | -30.7 | 139.4 | 169.5 | 51.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 453 | L | 30.8 | Very low | 26.1 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -133.9 | 126.8 | 141.3 | -102.2 | 148.5 | 0 | 0 | 0 | 108.7 | ||||
| 454 | V | 24.3 | Very low | 25.9 | Very low | 111 Ų | 111 | 150 Ų | 150 | 67% | 0.673 | 82% | 0.817 | S | S | * | * | trans | -90.8 | 148.2 | -171.9 | 165.9 | 0 | 0 | 0 | 0 | 109.8 | T456 | V454-T456 HydrophobicContact CG1-CG2 4.12Š| ||
| 455 | S | 28.4 | Very low | 25.6 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -151.1 | 125 | 150 | -10.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 456 | T | 22 | Very low | 25.2 | Very low | 118 Ų | 118 | 151 Ų | 151 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | trans | -97.7 | 146.6 | -175.5 | 39.2 | 0 | 0 | 0 | 0 | 111 | V454 | V454-T456 HydrophobicContact CG1-CG2 4.12Š| ||
| 457 | E | 25.4 | Very low | 25 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | 177 | 158.5 | 138.1 | -97.6 | 179.7 | -168.6 | 0 | 0 | 113 | ||||
| 458 | P | 23.9 | Very low | 24.9 | Very low | 122 Ų | 122 | 149 Ų | 149 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -112.4 | -174.5 | -139.7 | 43.3 | -36.7 | 0 | 0 | 0 | 117.8 | ||||
| 459 | M | 18.7 | Very low | 24.8 | Very low | 183 Ų | 183 | 147 Ų | 147 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -70.9 | 159.5 | -164.9 | -48.3 | -164.1 | 79.3 | 0 | 0 | 118.4 | ||||
| 460 | S | 25.8 | Very low | 24.9 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | -172.2 | 144.8 | 127.7 | 46.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 461 | S | 23.2 | Very low | 24.9 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -25.7 | 155.1 | 170.9 | 54.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 462 | D | 24.4 | Very low | 24.8 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 67% | 0.674 | 80% | 0.795 | S | S | * | * | 106.2 | 125.5 | 125.3 | -98.5 | 18.8 | 0 | 0 | 0 | 123.3 | |||||
| 463 | R | 26.3 | Very low | 24.8 | Very low | 201 Ų | 201 | 142.4 Ų | 142.4 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | trans | 93.4 | 116.5 | 137.9 | -72.4 | 175.5 | -161.8 | -155 | 3.5 | 124.2 | ||||
| 464 | R | 23 | Very low | 24.8 | Very low | 224 Ų | 224 | 144.7 Ų | 144.7 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | 55.5 | 119 | 120.4 | -71.4 | -175.2 | -176.6 | 179.7 | 1.1 | 122.6 | |||||
| 465 | L | 22.2 | Very low | 24.9 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | 58.8 | 140 | 112 | -143.4 | 83 | 0 | 0 | 0 | 122.2 | |||||
| 466 | S | 23.6 | Very low | 24.9 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | 108 | 108.7 | 148.7 | 73.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 467 | T | 23.4 | Very low | 25.1 | Very low | 124 Ų | 124 | 149 Ų | 149 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | 28.7 | 139.1 | 128 | 49.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 468 | E | 23.6 | Very low | 25.3 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | 96 | 127.7 | 142.2 | -81.6 | 177.6 | -162.8 | 0 | 0 | 122.5 | ||||
| 469 | H | 26 | Very low | 25.6 | Very low | 158 Ų | 158 | 157.2 Ų | 157.2 | 73% | 0.731 | 82% | 0.816 | S | S | * | * | trans | 63.1 | 112.7 | 149.7 | -69.8 | -63.5 | 0 | 0 | 0 | 123.3 | ||||
| 470 | S | 25.4 | Very low | 26.2 | Very low | 115 Ų | 115 | 153.2 Ų | 153.2 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 14.5 | 115.9 | 139.8 | 56.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 471 | G | 27.8 | Very low | 26.4 | Very low | 75 Ų | 75 | 156.1 Ų | 156.1 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 177.1 | 116.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 472 | L | 26.4 | Very low | 27 | Very low | 171 Ų | 171 | 156.5 Ų | 156.5 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | trans | -8.2 | 133.7 | 172.3 | -77 | 94.6 | 0 | 0 | 0 | 121.7 | ||||
| 473 | S | 26.8 | Very low | 27.4 | Very low | 106 Ų | 106 | 156.6 Ų | 156.6 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | 45 | 102.5 | 131.1 | -166.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 474 | R | 29.6 | Very low | 27.7 | Very low | 231 Ų | 231 | 153.8 Ų | 153.8 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | -167.6 | 105.2 | 123.2 | -109 | 168.5 | 169.4 | 166.7 | -1.6 | 110.3 | R476 | R474-R476 PolarHBondContact O-N 2.86Š| |||
| 475 | G | 27.4 | Very low | 28.2 | Very low | 85 Ų | 85 | 154.7 Ų | 154.7 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | trans | -59.5 | 121.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 476 | R | 28.7 | Very low | 28.5 | Very low | 224 Ų | 224 | 158 Ų | 158 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -141.6 | 113.8 | 163.6 | -134.7 | -178.5 | -77.2 | -172.3 | -2.4 | 108.5 | R474 R478 | R474-R476 PolarHBondContact O-N 2.86Å; R476-R478 PolarHBondContact O-N 3.4Å | ||
| 477 | C | 24.7 | Very low | 28.9 | Very low | 135 Ų | 135 | 164.7 Ų | 164.7 | 91% | 0.912 | 83% | 0.828 | S | S | * | * | trans | -43.8 | 121.9 | 179.6 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 478 | R | 31.2 | Very low | 29.4 | Very low | 250 Ų | 250 | 164.9 Ų | 164.9 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | trans | -102.6 | 111 | 161.3 | -88.9 | -171.9 | 173 | -179.3 | -0.8 | 109.9 | R476 A480 | R476-R478 PolarHBondContact O-N 3.4Å; R478-A480 PolarHBondContact O-N 2.88Å | ||
| 479 | R | 29.6 | Very low | 29.8 | Very low | 237 Ų | 237 | 161 Ų | 161 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | trans | -35.4 | 114.4 | 168.5 | -151.8 | 173.5 | -156.7 | 145.7 | 1.8 | 111.7 | Q481 | R479-Q481 PolarHBondContact O-N 3Š| ||
| 480 | A | 30.6 | Very low | 30.4 | Very low | 100 Ų | 100 | 160 Ų | 160 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | trans | -66.4 | 114.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109 | R478 | R478-A480 PolarHBondContact O-N 2.88Š| ||
| 481 | Q | 31.5 | Very low | 30.7 | Very low | 180 Ų | 180 | 164.8 Ų | 164.8 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | trans | -73.8 | 127.6 | 168.5 | -80.7 | 178.9 | -24.1 | 0 | 0 | 109.1 | R479 V483 | R479-Q481 PolarHBondContact O-N 3Å; Q481-V483 PolarHBondContact O-N 3.35Å | ||
| 482 | S | 34.3 | Very low | 30.9 | Very low | 111 Ų | 111 | 168.7 Ų | 168.7 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | trans | -60.2 | 116.2 | -179.6 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | F484 | S482-F484 VanDerWaalsContact C-N 3.34Š| ||
| 483 | V | 33.9 | Very low | 31.4 | Very low | 127 Ų | 127 | 163.7 Ų | 163.7 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -92.4 | 9.7 | 172.2 | 178.5 | 0 | 0 | 0 | 0 | 112.2 | Q481 R485 | Q481-V483 PolarHBondContact O-N 3.35Å; V483-R485 PolarHBondContact O-N 2.96Å | ||
| 484 | F | 32.6 | Very low | 32.1 | Very low | 143 Ų | 143 | 163.8 Ų | 163.8 | 63% | 0.627 | 81% | 0.814 | S | S | * | * | trans | -75.1 | 21.5 | -172.2 | -96.2 | -74.7 | 0 | 0 | 0 | 117.5 | S482 D521 | S482-F484 VanDerWaalsContact C-N 3.34Å; F484-D521 HydrophobicContact CZ-CB 4.46Å; F484-D521 WeakPolarHBondContact CZ-OD2 3.4Å | ||
| 485 | R | 32.2 | Very low | 32.6 | Very low | 243 Ų | 243 | 156.9 Ų | 156.9 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -141.4 | 82.1 | 171.9 | -79.2 | -169.9 | -178.8 | -177.6 | 2.1 | 112.4 | V483 | V483-R485 PolarHBondContact O-N 2.96Š| ||
| 486 | R | 30.1 | Very low | 33.7 | Very low | 234 Ų | 234 | 154.1 Ų | 154.1 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -109.6 | 108.4 | 146.9 | -74.3 | -171.8 | 177.9 | -179 | 0.7 | 107.9 | ||||
| 487 | R | 31.9 | Very low | 34.6 | Very low | 242 Ų | 242 | 152.8 Ų | 152.8 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 129.6 | 161.8 | -93 | -179.1 | 174.3 | 161.1 | -2.3 | 107.1 | S489 | R487-S489 PolarHBondContact O-N 3.49Š|
| 488 | P | 33.6 | Very low | 35.3 | Very low | 128 Ų | 128 | 154.7 Ų | 154.7 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 125.4 | 172.4 | 23.8 | -29.5 | 0 | 0 | 0 | 108.4 | S490 | P488-S490 PolarHBondContact O-N 3.27Š|
| 489 | S | 30.9 | Very low | 35.7 | Very low | 87 Ų | 87 | 145.7 Ų | 145.7 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 125.2 | 175 | 166.8 | 0 | 0 | 0 | 0 | 108.6 | R487 R491 M492 | R487-S489 PolarHBondContact O-N 3.49Å; S489-R491 PolarHBondContact O-N 3.04Å; S489-R491 VanDerWaalsContact OG-CB 3.24Å; S489-R491 WeakPolarHBondContact OG-CB 3.49Å; S489-R491 PolarHBondContact OG-N 3.46Å; S489-R491 VanDerWaalsContact OG-N 3.16Å; S489-M492 PolarHBondContact O-N 3.33Å |
| 490 | S | 39.4 | Very low | 36.1 | Very low | 136 Ų | 136 | 138 Ų | 138 | 95% | 0.951 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 22 | 168.2 | 59.6 | 0 | 0 | 0 | 0 | 113 | P488 | P488-S490 PolarHBondContact O-N 3.27Š|
| 491 | R | 31.8 | Very low | 36.9 | Very low | 215 Ų | 215 | 140.1 Ų | 140.1 | 81% | 0.811 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | 30.7 | 179.2 | -149.2 | -178.8 | -174.5 | 169.9 | 1.7 | 111.2 | S489 S493 | S489-R491 PolarHBondContact O-N 3.04Å; S489-R491 VanDerWaalsContact OG-CB 3.24Å; S489-R491 WeakPolarHBondContact OG-CB 3.49Å; S489-R491 PolarHBondContact OG-N 3.46Å; S489-R491 VanDerWaalsContact OG-N 3.16Å; R491-S493 PolarHBondContact O-N 3.02Å |
| 492 | M | 32.8 | Very low | 37.3 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | trans | -63.8 | 93.1 | 162 | -158.7 | 111.4 | 92.9 | 0 | 0 | 106.4 | S489 | S489-M492 PolarHBondContact O-N 3.33Š| ||
| 493 | S | 35.6 | Very low | 38.1 | Very low | 67 Ų | 67 | 135.1 Ų | 135.1 | 47% | 0.469 | 67% | 0.671 | S | S | . | * | trans | -57.6 | 156.9 | -177.2 | 45.6 | 0 | 0 | 0 | 0 | 110.4 | R491 T495 G496 | R491-S493 PolarHBondContact O-N 3.02Å; S493-T495 PolarHBondContact O-N 3.5Å; S493-T495 PolarHBondContact OG-OG1 2.82Å; S493-G496 PolarHBondContact O-N 2.88Å; S493-G496 VanDerWaalsContact O-N 3.1Å | ||
| 494 | S | 42.9 | Very low | 38.6 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -44.5 | -12.5 | 174.6 | 48.3 | 0 | 0 | 0 | 0 | 116 | G496 | S494-G496 VanDerWaalsContact C-N 3.31Å; S494-G496 PolarHBondContact O-N 3.37Å |
| 495 | T | 38.9 | Very low | 39.8 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 53% | 0.528 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -69.5 | -16.1 | 174.5 | 53.2 | 0 | 0 | 0 | 0 | 115.1 | S493 Y497 E498 L499 | S493-T495 PolarHBondContact O-N 3.5Å; S493-T495 PolarHBondContact OG-OG1 2.82Å; T495-Y497 VanDerWaalsContact C-N 3.27Å; T495-Y497 PolarHBondContact O-N 2.87Å; T495-E498 PolarHBondContact O-N 3.19Å; T495-L499 WeakPolarHBondContact O-CD1 3.25Å |
| 496 | G | 49.8 | Very low | 41.3 | Very low | 28 Ų | 28 | 126.2 Ų | 126.2 | 29% | 0.289 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -64.1 | -28.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S493 S494 E498 | S493-G496 PolarHBondContact O-N 2.88Å; S493-G496 VanDerWaalsContact O-N 3.1Å; S494-G496 VanDerWaalsContact C-N 3.31Å; S494-G496 PolarHBondContact O-N 3.37Å; G496-E498 VanDerWaalsContact C-N 3.33Å |
| 497 | Y | 48.4 | Very low | 42.8 | Very low | 195 Ų | 195 | 118.6 Ų | 118.6 | 77% | 0.765 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -78.6 | -14.5 | 180 | -71.6 | -79.1 | 0 | 0 | 0 | 113.8 | T495 R504 | T495-Y497 VanDerWaalsContact C-N 3.27Å; T495-Y497 PolarHBondContact O-N 2.87Å; Y497-R504 PolarHBondContact O-NH1 3.27Å |
| 498 | E | 38.3 | Very low | 43.9 | Very low | 175 Ų | 175 | 109.3 Ų | 109.3 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -84.2 | -9.8 | 178.4 | -70.8 | -80.9 | 145.7 | 0 | 0 | 112.9 | T495 G496 | T495-E498 PolarHBondContact O-N 3.19Å; G496-E498 VanDerWaalsContact C-N 3.33Å |
| 499 | L | 41.4 | Very low | 45.3 | Very low | 62 Ų | 62 | 105.9 Ų | 105.9 | 33% | 0.325 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -73.7 | 133.4 | 177.2 | -78.8 | 92.1 | 0 | 0 | 0 | 111 | T495 V503 R504 I507 | T495-L499 WeakPolarHBondContact O-CD1 3.25Å; L499-V503 HydrophobicContact CB-CB 4.31Å; L499-V503 HydrophobicContact CD2-CB 3.84Å; L499-V503 HydrophobicContact CD2-CG1 3.31Å; L499-R504 HydrophobicContact CB-CG 4.11Å; L499-R504 PolarHBondContact O-NH1 3.21Å; L499-I507 HydrophobicContact CD2-CD1 4.11Å |
| 500 | S | 38.2 | Very low | 47 | Very low | 75 Ų | 75 | 109.9 Ų | 109.9 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | trans | -48.5 | 143.4 | 172.4 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | M502 V503 R504 | S500-M502 PolarHBondContact O-N 2.9Å; S500-V503 PolarHBondContact O-N 3.03Å; S500-V503 WeakPolarHBondContact OG-CG2 3.41Å; S500-R504 PolarHBondContact O-N 3.13Å | ||
| 501 | Y | 45.9 | Very low | 48 | Very low | 145 Ų | 145 | 107.7 Ų | 107.7 | 57% | 0.569 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -45.1 | -42.5 | -178.9 | 176.5 | -90.7 | 0 | 0 | 0 | 112.4 | V503 R504 W505 | Y501-V503 VanDerWaalsContact C-N 3.33Å; Y501-V503 PolarHBondContact O-N 3.37Å; Y501-R504 CarbonylContact O-C 3.41Å; Y501-R504 WeakPolarHBondContact O-CB 3.17Å; Y501-R504 PolarHBondContact O-N 3.31Å; Y501-R504 VanDerWaalsContact O-N 3.13Å; Y501-W505 HydrophobicContact CE1-CB 4.24Å; Y501-W505 HydrophobicContact CE1-CG 4.39Å; Y501-W505 WeakPolarHBondContact O-CB 3.43Å; Y501-W505 PolarHBondContact O-N 2.58Å |
| 502 | M | 40.7 | Very low | 49.4 | Very low | 132 Ų | 132 | 101.4 Ų | 101.4 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.6 | -41.9 | 177 | -171.9 | -178.3 | -72.3 | 0 | 0 | 113.6 | S500 W505 I506 | S500-M502 PolarHBondContact O-N 2.9Å; M502-W505 PolarHBondContact O-N 3.28Å; M502-I506 HydrophobicContact CG-CD1 4.11Å; M502-I506 WeakPolarHBondContact O-CB 3.48Å; M502-I506 WeakPolarHBondContact O-CD1 3.23Å; M502-I506 WeakPolarHBondContact O-CG1 3.48Å; M502-I506 PolarHBondContact O-N 3.5Å |
| 503 | V | 49.9 | Very low | 50.9 | Low | 53 Ų | 53 | 100.2 Ų | 100.2 | 32% | 0.321 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76.4 | -34.3 | 179.2 | -171.4 | 0 | 0 | 0 | 0 | 111 | L499 S500 Y501 W505 I506 I507 | L499-V503 HydrophobicContact CB-CB 4.31Å; L499-V503 HydrophobicContact CD2-CB 3.84Å; L499-V503 HydrophobicContact CD2-CG1 3.31Å; S500-V503 PolarHBondContact O-N 3.03Å; S500-V503 WeakPolarHBondContact OG-CG2 3.41Å; Y501-V503 VanDerWaalsContact C-N 3.33Å; Y501-V503 PolarHBondContact O-N 3.37Å; V503-W505 VanDerWaalsContact C-N 3.33Å; V503-I506 PolarHBondContact O-N 3.29Å; V503-I507 HydrophobicContact CG1-CD1 3.93Å; V503-I507 HydrophobicContact CG1-CG1 4.37Å; V503-I507 WeakPolarHBondContact O-CB 3.39Å; V503-I507 WeakPolarHBondContact O-CD1 3.43Å; V503-I507 WeakPolarHBondContact O-CG1 3.32Å; V503-I507 PolarHBondContact O-N 3.31Å |
| 504 | R | 45 | Very low | 52.2 | Low | 104 Ų | 104 | 102.3 Ų | 102.3 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 170.8 | -67.1 | -168.4 | -68.5 | -115.9 | 6.3 | 111.3 | Y497 L499 S500 Y501 I507 A508 | Y497-R504 PolarHBondContact O-NH1 3.27Å; L499-R504 HydrophobicContact CB-CG 4.11Å; L499-R504 PolarHBondContact O-NH1 3.21Å; S500-R504 PolarHBondContact O-N 3.13Å; Y501-R504 CarbonylContact O-C 3.41Å; Y501-R504 WeakPolarHBondContact O-CB 3.17Å; Y501-R504 PolarHBondContact O-N 3.31Å; Y501-R504 VanDerWaalsContact O-N 3.13Å; R504-I507 PolarHBondContact O-N 2.98Å; R504-A508 VanDerWaalsContact O-CB 3.27Å; R504-A508 WeakPolarHBondContact O-CB 3.03Å; R504-A508 PolarHBondContact O-N 3.24Å |
| 505 | W | 57.4 | Low | 53.1 | Low | 135 Ų | 135 | 104.1 Ų | 104.1 | 51% | 0.511 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.9 | -171.3 | 94.7 | 0 | 0 | 0 | 111.8 | Y501 M502 V503 I507 A508 N509 | Y501-W505 HydrophobicContact CE1-CB 4.24Å; Y501-W505 HydrophobicContact CE1-CG 4.39Å; Y501-W505 WeakPolarHBondContact O-CB 3.43Å; Y501-W505 PolarHBondContact O-N 2.58Å; M502-W505 PolarHBondContact O-N 3.28Å; V503-W505 VanDerWaalsContact C-N 3.33Å; W505-I507 PolarHBondContact O-N 3.5Å; W505-A508 PolarHBondContact O-N 3.21Å; W505-N509 VanDerWaalsContact CE3-ND2 3.29Å; W505-N509 WeakPolarHBondContact CH2-ND2 3.43Å; W505-N509 WeakPolarHBondContact CZ2-ND2 3.14Å; W505-N509 WeakPolarHBondContact CZ3-ND2 3.47Å; W505-N509 VanDerWaalsContact O-CB 3.32Å; W505-N509 WeakPolarHBondContact O-CB 3.48Å; W505-N509 PolarHBondContact O-N 3Å |
| 506 | I | 63.6 | Low | 53.7 | Low | 87 Ų | 87 | 103.1 Ų | 103.1 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 175.5 | -70.4 | 164.2 | 0 | 0 | 0 | 111.1 | M502 V503 R510 | M502-I506 HydrophobicContact CG-CD1 4.11Å; M502-I506 WeakPolarHBondContact O-CB 3.48Å; M502-I506 WeakPolarHBondContact O-CD1 3.23Å; M502-I506 WeakPolarHBondContact O-CG1 3.48Å; M502-I506 PolarHBondContact O-N 3.5Å; V503-I506 PolarHBondContact O-N 3.29Å; I506-R510 WeakPolarHBondContact O-CB 3.29Å; I506-R510 PolarHBondContact O-N 3.49Å |
| 507 | I | 63.4 | Low | 53.9 | Low | 74 Ų | 74 | 107.3 Ų | 107.3 | 38% | 0.379 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 177.6 | -67.9 | 166.2 | 0 | 0 | 0 | 109.8 | L499 V503 R504 W505 N509 R510 E511 | L499-I507 HydrophobicContact CD2-CD1 4.11Å; V503-I507 HydrophobicContact CG1-CD1 3.93Å; V503-I507 HydrophobicContact CG1-CG1 4.37Å; V503-I507 WeakPolarHBondContact O-CB 3.39Å; V503-I507 WeakPolarHBondContact O-CD1 3.43Å; V503-I507 WeakPolarHBondContact O-CG1 3.32Å; V503-I507 PolarHBondContact O-N 3.31Å; R504-I507 PolarHBondContact O-N 2.98Å; W505-I507 PolarHBondContact O-N 3.5Å; I507-N509 PolarHBondContact O-N 3.11Å; I507-R510 PolarHBondContact O-N 3.35Å; I507-E511 WeakPolarHBondContact O-CG 3.45Å; I507-E511 PolarHBondContact O-N 3.09Å |
| 508 | A | 54.8 | Low | 53.9 | Low | 47 Ų | 47 | 99.1 Ų | 99.1 | 39% | 0.388 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R504 W505 R510 E511 L512 | R504-A508 VanDerWaalsContact O-CB 3.27Å; R504-A508 WeakPolarHBondContact O-CB 3.03Å; R504-A508 PolarHBondContact O-N 3.24Å; W505-A508 PolarHBondContact O-N 3.21Å; A508-R510 VanDerWaalsContact C-N 3.34Å; A508-R510 PolarHBondContact O-N 3.01Å; A508-E511 WeakPolarHBondContact O-CB 3.38Å; A508-E511 PolarHBondContact O-N 3.33Å; A508-L512 WeakPolarHBondContact O-CG 3.02Å; A508-L512 PolarHBondContact O-N 2.86Å |
| 509 | N | 61.3 | Low | 54.3 | Low | 57 Ų | 57 | 93.9 Ų | 93.9 | 31% | 0.305 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.3 | -33.9 | 178.1 | -86.9 | -20.1 | 0 | 0 | 0 | 113.3 | W505 I507 E511 L512 K513 | W505-N509 VanDerWaalsContact CE3-ND2 3.29Å; W505-N509 WeakPolarHBondContact CH2-ND2 3.43Å; W505-N509 WeakPolarHBondContact CZ2-ND2 3.14Å; W505-N509 WeakPolarHBondContact CZ3-ND2 3.47Å; W505-N509 VanDerWaalsContact O-CB 3.32Å; W505-N509 WeakPolarHBondContact O-CB 3.48Å; W505-N509 PolarHBondContact O-N 3Å; I507-N509 PolarHBondContact O-N 3.11Å; N509-E511 VanDerWaalsContact C-N 3.34Å; N509-L512 PolarHBondContact O-N 2.9Å; N509-K513 VanDerWaalsContact O-CB 3.3Å; N509-K513 WeakPolarHBondContact O-CB 3.46Å; N509-K513 PolarHBondContact O-N 3.35Å |
| 510 | R | 66.9 | Low | 54.3 | Low | 170 Ų | 170 | 100.1 Ų | 100.1 | 64% | 0.642 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.8 | -42.4 | 171.9 | -172.7 | 173.8 | -176.3 | 157.4 | 7.2 | 110.8 | I506 I507 A508 K513 E514 | I506-R510 WeakPolarHBondContact O-CB 3.29Å; I506-R510 PolarHBondContact O-N 3.49Å; I507-R510 PolarHBondContact O-N 3.35Å; A508-R510 VanDerWaalsContact C-N 3.34Å; A508-R510 PolarHBondContact O-N 3.01Å; R510-K513 PolarHBondContact O-N 3.41Å; R510-E514 IonicContact NE-OE1 3.6Å; R510-E514 PolarHBondContact NE-OE1 3Å; R510-E514 WeakPolarHBondContact O-CB 3.17Å; R510-E514 VanDerWaalsContact O-CG 3.3Å; R510-E514 WeakPolarHBondContact O-CG 3.38Å; R510-E514 PolarHBondContact O-N 2.81Å |
| 511 | E | 62.1 | Low | 54.5 | Low | 91 Ų | 91 | 100.9 Ų | 100.9 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 175.3 | -73.5 | -176.9 | -177.1 | 0 | 0 | 112.5 | I507 A508 N509 E514 K515 | I507-E511 WeakPolarHBondContact O-CG 3.45Å; I507-E511 PolarHBondContact O-N 3.09Å; A508-E511 WeakPolarHBondContact O-CB 3.38Å; A508-E511 PolarHBondContact O-N 3.33Å; N509-E511 VanDerWaalsContact C-N 3.34Å; E511-E514 PolarHBondContact O-N 2.85Å; E511-K515 WeakPolarHBondContact O-CB 3.45Å; E511-K515 WeakPolarHBondContact O-CG 3.32Å; E511-K515 PolarHBondContact O-N 2.9Å |
| 512 | L | 61.3 | Low | 54.2 | Low | 83 Ų | 83 | 96 Ų | 96 | 44% | 0.435 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 174.1 | -74.5 | 172.7 | 0 | 0 | 0 | 111.6 | A508 N509 E514 K515 S516 | A508-L512 WeakPolarHBondContact O-CG 3.02Å; A508-L512 PolarHBondContact O-N 2.86Å; N509-L512 PolarHBondContact O-N 2.9Å; L512-E514 VanDerWaalsContact C-N 3.32Å; L512-E514 PolarHBondContact O-N 3.42Å; L512-K515 PolarHBondContact O-N 3.21Å; L512-S516 WeakPolarHBondContact O-CB 3.09Å; L512-S516 PolarHBondContact O-N 3.49Å |
| 513 | K | 63.4 | Low | 54 | Low | 132 Ų | 132 | 95.9 Ų | 95.9 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.5 | -36.4 | 175.7 | -160.2 | 170.9 | -171.1 | 169.4 | 0 | 111.7 | N509 R510 S516 M517 | N509-K513 VanDerWaalsContact O-CB 3.3Å; N509-K513 WeakPolarHBondContact O-CB 3.46Å; N509-K513 PolarHBondContact O-N 3.35Å; R510-K513 PolarHBondContact O-N 3.41Å; K513-S516 PolarHBondContact O-OG 3.33Å; K513-S516 VanDerWaalsContact O-OG 3.1Å; K513-M517 HydrophobicContact CG-CE 4.15Å; K513-M517 WeakPolarHBondContact O-CG 3.22Å; K513-M517 PolarHBondContact O-N 2.92Å |
| 514 | E | 63 | Low | 53.2 | Low | 110 Ų | 110 | 97.9 Ų | 97.9 | 51% | 0.514 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.6 | -37.2 | 174.2 | -74.1 | 176.6 | -169.6 | 0 | 0 | 112 | R510 E511 L512 G518 | R510-E514 IonicContact NE-OE1 3.6Å; R510-E514 PolarHBondContact NE-OE1 3Å; R510-E514 WeakPolarHBondContact O-CB 3.17Å; R510-E514 VanDerWaalsContact O-CG 3.3Å; R510-E514 WeakPolarHBondContact O-CG 3.38Å; R510-E514 PolarHBondContact O-N 2.81Å; E511-E514 PolarHBondContact O-N 2.85Å; L512-E514 VanDerWaalsContact C-N 3.32Å; L512-E514 PolarHBondContact O-N 3.42Å; E514-G518 PolarHBondContact O-N 3.32Å |
| 515 | K | 62.1 | Low | 52.5 | Low | 145 Ų | 145 | 103.6 Ų | 103.6 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.6 | -41.1 | 171.9 | -76.9 | 176.3 | -177.2 | 171.8 | 0 | 112.2 | E511 L512 G518 S519 | E511-K515 WeakPolarHBondContact O-CB 3.45Å; E511-K515 WeakPolarHBondContact O-CG 3.32Å; E511-K515 PolarHBondContact O-N 2.9Å; L512-K515 PolarHBondContact O-N 3.21Å; K515-G518 PolarHBondContact O-N 3.17Å; K515-S519 WeakPolarHBondContact O-CB 3.2Å; K515-S519 PolarHBondContact O-N 3.06Å |
| 516 | S | 51.9 | Low | 51.1 | Low | 66 Ų | 66 | 108.2 Ų | 108.2 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67 | -38.2 | 178.7 | 80.2 | 0 | 0 | 0 | 0 | 111.7 | L512 K513 R520 | L512-S516 WeakPolarHBondContact O-CB 3.09Å; L512-S516 PolarHBondContact O-N 3.49Å; K513-S516 PolarHBondContact O-OG 3.33Å; K513-S516 VanDerWaalsContact O-OG 3.1Å; S516-R520 PolarHBondContact O-N 3.43Å |
| 517 | M | 52.1 | Low | 49.6 | Very low | 115 Ų | 115 | 109 Ų | 109 | 57% | 0.567 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.6 | -43.3 | 170.7 | -72.7 | -176.7 | -169.6 | 0 | 0 | 111.9 | K513 S519 R520 D521 | K513-M517 HydrophobicContact CG-CE 4.15Å; K513-M517 WeakPolarHBondContact O-CG 3.22Å; K513-M517 PolarHBondContact O-N 2.92Å; M517-S519 PolarHBondContact O-N 2.91Å; M517-R520 PolarHBondContact O-N 3.24Å; M517-D521 PolarHBondContact O-N 3.05Å |
| 518 | G | 49.2 | Very low | 47.9 | Very low | 23 Ų | 23 | 113.9 Ų | 113.9 | 24% | 0.237 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -65.5 | -32.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E514 K515 G522 | E514-G518 PolarHBondContact O-N 3.32Å; K515-G518 PolarHBondContact O-N 3.17Å; G518-G522 PolarHBondContact O-N 2.85Å |
| 519 | S | 47.3 | Very low | 46.5 | Very low | 65 Ų | 65 | 121.1 Ų | 121.1 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.3 | -39.3 | 177.3 | -156.9 | 0 | 0 | 0 | 0 | 112 | K515 M517 D521 G522 E523 | K515-S519 WeakPolarHBondContact O-CB 3.2Å; K515-S519 PolarHBondContact O-N 3.06Å; M517-S519 PolarHBondContact O-N 2.91Å; S519-D521 VanDerWaalsContact C-N 3.31Å; S519-D521 PolarHBondContact O-N 3.43Å; S519-G522 PolarHBondContact O-N 3.33Å; S519-G522 VanDerWaalsContact O-N 3.1Å; S519-E523 PolarHBondContact O-N 3.03Å |
| 520 | R | 41.7 | Very low | 44.9 | Very low | 193 Ų | 193 | 123.8 Ų | 123.8 | 73% | 0.728 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.6 | -34.7 | 176.4 | -82.5 | -175.7 | 173.7 | -179.8 | -0.2 | 113.1 | S516 M517 T524 | S516-R520 PolarHBondContact O-N 3.43Å; M517-R520 PolarHBondContact O-N 3.24Å; R520-T524 PolarHBondContact O-N 2.87Å; R520-T524 PolarHBondContact O-OG1 3.33Å |
| 521 | D | 41.6 | Very low | 42.9 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 49% | 0.492 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -74.7 | -24.7 | 175 | -74.6 | -16.1 | 0 | 0 | 0 | 113.1 | F484 M517 S519 T524 | F484-D521 HydrophobicContact CZ-CB 4.46Å; F484-D521 WeakPolarHBondContact CZ-OD2 3.4Å; M517-D521 PolarHBondContact O-N 3.05Å; S519-D521 VanDerWaalsContact C-N 3.31Å; S519-D521 PolarHBondContact O-N 3.43Å; D521-T524 WeakPolarHBondContact CA-OG1 2.96Å; D521-T524 PolarHBondContact O-OG1 2.88Å |
| 522 | G | 40.8 | Very low | 41.1 | Very low | 43 Ų | 43 | 126.9 Ų | 126.9 | 44% | 0.443 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -77 | -39.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G518 S519 R525 R526 | G518-G522 PolarHBondContact O-N 2.85Å; S519-G522 PolarHBondContact O-N 3.33Å; S519-G522 VanDerWaalsContact O-N 3.1Å; G522-R525 PolarHBondContact O-N 3.07Å; G522-R526 PolarHBondContact O-N 3.04Å |
| 523 | E | 35.3 | Very low | 39.4 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 60% | 0.603 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.1 | -35.4 | 179.8 | -77.7 | 171.4 | 154.7 | 0 | 0 | 112.4 | S519 R525 R526 S527 | S519-E523 PolarHBondContact O-N 3.03Å; E523-R525 VanDerWaalsContact C-N 3.25Å; E523-R525 PolarHBondContact O-N 3.36Å; E523-R526 PolarHBondContact O-N 3.37Å; E523-S527 PolarHBondContact O-N 3.37Å |
| 524 | T | 33.7 | Very low | 37.6 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 58% | 0.577 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66.8 | -23.4 | 175 | 38 | 0 | 0 | 0 | 0 | 113.6 | R520 D521 | R520-T524 PolarHBondContact O-N 2.87Å; R520-T524 PolarHBondContact O-OG1 3.33Å; D521-T524 WeakPolarHBondContact CA-OG1 2.96Å; D521-T524 PolarHBondContact O-OG1 2.88Å |
| 525 | R | 29.8 | Very low | 35.6 | Very low | 225 Ų | 225 | 133.3 Ų | 133.3 | 85% | 0.849 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -85.6 | -21.4 | 172.2 | -90.5 | -175.7 | 173.9 | -173.3 | -0.7 | 114.6 | G522 E523 | G522-R525 PolarHBondContact O-N 3.07Å; E523-R525 VanDerWaalsContact C-N 3.25Å; E523-R525 PolarHBondContact O-N 3.36Å |
| 526 | R | 28.6 | Very low | 33.7 | Very low | 232 Ų | 232 | 135.9 Ų | 135.9 | 88% | 0.875 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -86.9 | -19.4 | 177.7 | -103.8 | -178.8 | 176.7 | 177 | -1.6 | 113.7 | G522 E523 | G522-R526 PolarHBondContact O-N 3.04Å; E523-R526 PolarHBondContact O-N 3.37Å |
| 527 | S | 31.7 | Very low | 32.1 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -87.5 | -2.3 | -176.3 | -161.6 | 0 | 0 | 0 | 0 | 115.1 | E523 | E523-S527 PolarHBondContact O-N 3.37Š|
| 528 | Q | 26.7 | Very low | 30.6 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -109 | 70.6 | 174.2 | -74.3 | -175.2 | -14.2 | 0 | 0 | 112.1 | ||||
| 529 | K | 25.7 | Very low | 29.2 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 87% | 0.865 | 74% | 0.737 | S | S | * | * | trans | -131.4 | 115 | 153.7 | -102.3 | -175.5 | 175.1 | -174 | 0 | 108.2 | ||||
| 530 | S | 27.2 | Very low | 28 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -64.2 | 140.3 | -176.3 | -175 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 531 | P | 26.8 | Very low | 27 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | trans | -96.9 | 99.8 | -178 | 34.3 | -27 | 0 | 0 | 0 | 111.1 | ||||
| 532 | Y | 23.6 | Very low | 26.1 | Very low | 216 Ų | 216 | 148.2 Ų | 148.2 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | -162 | 104.4 | 159.7 | -98.6 | -77.9 | 0 | 0 | 0 | 107.5 | ||||
| 533 | D | 26.3 | Very low | 25.2 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -173.2 | 142.7 | 134 | -89.7 | -26.8 | 0 | 0 | 0 | 109.7 | ||||
| 534 | P | 25.6 | Very low | 24.5 | Very low | 110 Ų | 110 | 151 Ų | 151 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | trans | -100.2 | 153.4 | -162.7 | 24.4 | -6.9 | 0 | 0 | 0 | 114.2 | ||||
| 535 | E | 19.6 | Very low | 24 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | 41.7 | 111.9 | 147.2 | -61.4 | -178.5 | 171.2 | 0 | 0 | 119.8 | ||||
| 536 | E | 23 | Very low | 23.9 | Very low | 199 Ų | 199 | 147 Ų | 147 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | -161.2 | 133.5 | 120.5 | -119.3 | 174.9 | 178.2 | 0 | 0 | 112 | |||||
| 537 | Q | 18.2 | Very low | 23.5 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -72.4 | 149.4 | 172.4 | -68.1 | 167.6 | -26 | 0 | 0 | 110.3 | ||||
| 538 | T | 20.8 | Very low | 23.2 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | 158.8 | 121.6 | 115.3 | 41.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 539 | N | 20.2 | Very low | 23 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | 52.1 | 132.4 | 128.2 | -75.1 | 14.8 | 0 | 0 | 0 | 123.2 | |||||
| 540 | E | 21.1 | Very low | 22.9 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | 99.8 | 116.2 | 128.5 | -80.7 | 176.4 | -140.1 | 0 | 0 | 120.6 | |||||
| 541 | N | 21.8 | Very low | 22.8 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 64% | 0.642 | 79% | 0.792 | S | S | * | * | 83.1 | 117.4 | 121.3 | -69.5 | -16.9 | 0 | 0 | 0 | 121.8 | |||||
| 542 | V | 21.4 | Very low | 22.5 | Very low | 114 Ų | 114 | 153.6 Ų | 153.6 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | 74.2 | 124 | 120.9 | 179.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 543 | T | 22.1 | Very low | 22.5 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | 177.9 | 150.8 | 62.2 | -9.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 544 | S | 21.5 | Very low | 22.3 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 49.3 | 124.4 | 133.5 | -69.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 545 | G | 22.7 | Very low | 22.3 | Very low | 64 Ų | 64 | 147.1 Ų | 147.1 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | 104.9 | 107.8 | 107.5 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 546 | N | 27.3 | Very low | 22.4 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | 169.4 | 122.5 | 109.7 | -88.3 | -19.8 | 0 | 0 | 0 | 113 | |||||
| 547 | N | 20.8 | Very low | 22.2 | Very low | 161 Ų | 161 | 146 Ų | 146 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -95.2 | 133.8 | 165.9 | -80.6 | -32.3 | 0 | 0 | 0 | 109.1 | ||||
| 548 | L | 24.7 | Very low | 22.6 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -154.6 | 114.8 | 160.4 | -141.9 | 84.6 | 0 | 0 | 0 | 112.3 | ||||
| 549 | F | 23.4 | Very low | 22.6 | Very low | 200 Ų | 200 | 144.7 Ų | 144.7 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | 43.7 | 116.8 | 143.1 | -83.5 | -96.3 | 0 | 0 | 0 | 123.1 | ||||
| 550 | G | 23 | Very low | 22.8 | Very low | 69 Ų | 69 | 146.9 Ų | 146.9 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | 94 | 115 | 107 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 551 | R | 25.4 | Very low | 22.8 | Very low | 260 Ų | 260 | 145.3 Ų | 145.3 | 98% | 0.981 | 81% | 0.805 | S | S | * | * | trans | -164.6 | 135.7 | 130.4 | -112.9 | 174.3 | -178 | -177.2 | 0.6 | 113.8 | ||||
| 552 | K | 20.2 | Very low | 22.8 | Very low | 218 Ų | 218 | 146.5 Ų | 146.5 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | trans | -80.1 | 160.6 | 179.5 | -69.6 | 172.9 | 170.2 | 177.4 | 0 | 112.7 | ||||
| 553 | G | 23 | Very low | 22.8 | Very low | 71 Ų | 71 | 149 Ų | 149 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | 151.9 | 77.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 554 | S | 21.8 | Very low | 22.9 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | 61.2 | 105.2 | 89.6 | 179.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 555 | H | 25.5 | Very low | 22.8 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | -158.9 | 107.8 | 128 | -96.7 | -63.7 | 0 | 0 | 0 | 111.8 | |||||
| 556 | R | 21.9 | Very low | 22.8 | Very low | 232 Ų | 232 | 155.4 Ų | 155.4 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | trans | 26.8 | 113.9 | 147.1 | -72.9 | 178.7 | 176.4 | 172.3 | -2.6 | 120.9 | ||||
| 557 | T | 20.1 | Very low | 22.6 | Very low | 130 Ų | 130 | 156.5 Ų | 156.5 | 80% | 0.798 | 82% | 0.823 | S | S | * | * | trans | -61.6 | 149.3 | 144.4 | 44.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 558 | S | 26.1 | Very low | 22.5 | Very low | 120 Ų | 120 | 157.8 Ų | 157.8 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -142.1 | 104.1 | 148.5 | 56.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 559 | N | 19.8 | Very low | 22.2 | Very low | 151 Ų | 151 | 154.6 Ų | 154.6 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | trans | -70.6 | 141.5 | 161.7 | -73.7 | -18.9 | 0 | 0 | 0 | 109.1 | ||||
| 560 | L | 25.3 | Very low | 22.1 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | trans | -143.2 | 124.3 | 147.2 | -147.8 | 83.8 | 0 | 0 | 0 | 109.8 | ||||
| 561 | T | 21.2 | Very low | 21.9 | Very low | 115 Ų | 115 | 153.8 Ų | 153.8 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | trans | -99.1 | 157.3 | 174.6 | 33 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 562 | N | 22.4 | Very low | 21.6 | Very low | 144 Ų | 144 | 149 Ų | 149 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | 90 | 115.2 | 155 | -65.3 | -11 | 0 | 0 | 0 | 121.9 | ||||
| 563 | M | 20.6 | Very low | 21.6 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 70.6 | 160.3 | 133.1 | -73.4 | -71.2 | 179.4 | 0 | 0 | 119.9 | ||||
| 564 | P | 25.4 | Very low | 21.4 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | cis | -133 | 171.1 | 0.1 | 34.3 | -13.4 | 0 | 0 | 0 | 116.7 | ||||
| 565 | S | 18.3 | Very low | 21.4 | Very low | 101 Ų | 101 | 154.3 Ų | 154.3 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | trans | -60.5 | 137.7 | 163.8 | 51.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 566 | Y | 22.1 | Very low | 21 | Very low | 225 Ų | 225 | 150.4 Ų | 150.4 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -155.3 | 113 | 150.5 | -90.7 | -80.7 | 0 | 0 | 0 | 109.8 | ||||
| 567 | M | 23.4 | Very low | 20.9 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 96% | 0.956 | 81% | 0.806 | S | S | * | * | 175.5 | 121.7 | 114.6 | -115 | 172.2 | 163 | 0 | 0 | 109.9 | |||||
| 568 | Q | 20 | Very low | 21 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 149.4 | 179.5 | -83.1 | 166.2 | -51.1 | 0 | 0 | 112.5 | ||
| 569 | S | 17.8 | Very low | 20.7 | Very low | 96 Ų | 96 | 152.1 Ų | 152.1 | 67% | 0.671 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 146.3 | 161.3 | 51.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 570 | P | 20.2 | Very low | 20.8 | Very low | 132 Ų | 132 | 152.3 Ų | 152.3 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 126.5 | 149.9 | 24.6 | -10.1 | 0 | 0 | 0 | 111.1 | ||
| 571 | T | 18.9 | Very low | 20.5 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 152.3 | 169.4 | 41.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 572 | L | 18.9 | Very low | 20.4 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | 70.8 | 114.9 | 154 | -110.6 | 82.6 | 0 | 0 | 0 | 119.3 | ||||
| 573 | S | 21 | Very low | 20.4 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | -177.4 | 142.5 | 104.5 | 35.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 574 | D | 18.6 | Very low | 20.4 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -59.5 | 142.5 | -173.8 | -57.8 | -63.7 | 0 | 0 | 0 | 114.3 | ||||
| 575 | Y | 21.2 | Very low | 20.3 | Very low | 229 Ų | 229 | 151.9 Ų | 151.9 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | -136.5 | 120.7 | 149 | -139.5 | -97.6 | 0 | 0 | 0 | 109.9 | ||||
| 576 | S | 18.3 | Very low | 20.4 | Very low | 100 Ų | 100 | 152 Ų | 152 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | -70.9 | 147.4 | -170.2 | 37.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 577 | I | 19.6 | Very low | 20.4 | Very low | 157 Ų | 157 | 148.7 Ų | 148.7 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | trans | -77.2 | 123.8 | 171.4 | -65.9 | 163.1 | 0 | 0 | 0 | 108.6 | E579 | I577-E579 HydrophobicContact CG2-CG 4.37Š| ||
| 578 | E | 21.2 | Very low | 20.4 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -90 | 104.9 | 161.1 | -81.9 | 179.7 | 159.8 | 0 | 0 | 108.6 | ||||
| 579 | E | 19.8 | Very low | 20.5 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -75.4 | 110.9 | 158.1 | -77.8 | -176.8 | 146.9 | 0 | 0 | 107.8 | I577 | I577-E579 HydrophobicContact CG2-CG 4.37Š| ||
| 580 | D | 21.9 | Very low | 20.8 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -110.3 | 125.6 | 162.1 | -113.6 | -20.8 | 0 | 0 | 0 | 110.9 | ||||
| 581 | T | 20.7 | Very low | 20.9 | Very low | 128 Ų | 128 | 151.3 Ų | 151.3 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -68.4 | 142.3 | -164.8 | 39.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 582 | L | 18.9 | Very low | 20.9 | Very low | 140 Ų | 140 | 153.2 Ų | 153.2 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | -62.4 | 129.2 | 172.6 | -162.7 | 133.9 | 0 | 0 | 0 | 112.9 | K584 | L582-K584 HydrophobicContact CD2-CG 3.73Š| ||
| 583 | P | 21.5 | Very low | 21 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -86.8 | 110.9 | 161.2 | 31.1 | -25.7 | 0 | 0 | 0 | 109.3 | S585 | P583-S585 PolarHBondContact O-N 3.33Š| ||
| 584 | K | 19.7 | Very low | 21.1 | Very low | 197 Ų | 197 | 156.2 Ų | 156.2 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -68.1 | 115 | 163.3 | -71.1 | 176 | 178.3 | 172.4 | 0 | 108.5 | L582 | L582-K584 HydrophobicContact CD2-CG 3.73Š| ||
| 585 | S | 24.1 | Very low | 21.4 | Very low | 114 Ų | 114 | 155.9 Ų | 155.9 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -142.9 | 124 | 145.2 | 64.5 | 0 | 0 | 0 | 0 | 110.2 | P583 | P583-S585 PolarHBondContact O-N 3.33Š| ||
| 586 | S | 21.4 | Very low | 21.6 | Very low | 103 Ų | 103 | 150.9 Ų | 150.9 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -67.7 | 157.9 | 175.5 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 587 | L | 21.8 | Very low | 22 | Very low | 156 Ų | 156 | 153.8 Ų | 153.8 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | 95.6 | 120.7 | 143.1 | -101.5 | 139.5 | 0 | 0 | 0 | 120.7 | ||||
| 588 | S | 23.8 | Very low | 22.6 | Very low | 93 Ų | 93 | 151.7 Ų | 151.7 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | trans | 97.6 | 101.8 | 138.5 | 73.4 | 0 | 0 | 0 | 0 | 119.2 | K590 | S588-K590 PolarHBondContact O-N 3.45Š| ||
| 589 | L | 21.5 | Very low | 22.8 | Very low | 178 Ų | 178 | 148 Ų | 148 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | -38.6 | 96 | 156.2 | -154.1 | 97.9 | 0 | 0 | 0 | 112.3 | ||||
| 590 | K | 24.4 | Very low | 23 | Very low | 203 Ų | 203 | 147 Ų | 147 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -88.5 | 111.3 | 170.4 | -99.8 | -180 | 178.7 | 174.1 | 0 | 110.6 | S588 | S588-K590 PolarHBondContact O-N 3.45Š| ||
| 591 | K | 21.1 | Very low | 23.1 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -57.5 | 136.7 | 165.5 | -89.1 | 175.2 | 174.4 | 173.7 | 0 | 111.4 | ||||
| 592 | I | 20.2 | Very low | 23.2 | Very low | 160 Ų | 160 | 150 Ų | 150 | 82% | 0.821 | 80% | 0.802 | S | S | * | * | trans | -27 | 128.1 | 158.2 | -61.8 | 154.4 | 0 | 0 | 0 | 113.4 | ||||
| 593 | K | 19.8 | Very low | 23.3 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -122.6 | 113.2 | 152.8 | -93.2 | -173.4 | 175.5 | -177.6 | 0 | 107.5 | ||||
| 594 | L | 24.3 | Very low | 23.4 | Very low | 153 Ų | 153 | 148 Ų | 148 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | trans | -110.9 | 103.1 | 164.2 | -158.2 | 77.5 | 0 | 0 | 0 | 105.7 | ||||
| 595 | N | 24 | Very low | 23.4 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -83.6 | 125.2 | 176.2 | -82.5 | -3.6 | 0 | 0 | 0 | 108.8 | ||||
| 596 | V | 26 | Very low | 23.4 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -110.8 | 103.1 | 171.6 | 173.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 597 | L | 26.5 | Very low | 23.3 | Very low | 160 Ų | 160 | 155.1 Ų | 155.1 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | 170 | 149.2 | 140.7 | -122.3 | 75.4 | 0 | 0 | 0 | 109.7 | ||||
| 598 | P | 32.8 | Very low | 23.2 | Very low | 114 Ų | 114 | 155.4 Ų | 155.4 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | trans | -96.1 | 148.3 | -164.6 | 37.3 | -30.6 | 0 | 0 | 0 | 112.6 | ||||
| 599 | S | 24.6 | Very low | 23 | Very low | 105 Ų | 105 | 157 Ų | 157 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | trans | -152.9 | 140.8 | 163.1 | -54.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 600 | D | 24.8 | Very low | 23.1 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | 91.3 | 75.5 | 159.2 | -46.9 | -24.3 | 0 | 0 | 0 | 117.4 | ||||
| 601 | L | 23.2 | Very low | 22.8 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | -32.7 | 118.1 | 131 | -175.2 | 81.2 | 0 | 0 | 0 | 112.4 | ||||
| 602 | E | 22.5 | Very low | 22.9 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -159.1 | 120.7 | 148.4 | -112.4 | 179.4 | -161.8 | 0 | 0 | 112.7 | ||||
| 603 | T | 22.3 | Very low | 22.8 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | trans | 76.2 | 107.8 | 152.1 | 68.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 604 | G | 23.6 | Very low | 22.9 | Very low | 80 Ų | 80 | 143.2 Ų | 143.2 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 171.7 | 72.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 605 | K | 19.2 | Very low | 22.8 | Very low | 203 Ų | 203 | 143.1 Ų | 143.1 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -52.3 | 136.4 | -179.5 | -64.8 | 166.7 | 173.2 | 176.3 | 0 | 114.2 | ||||
| 606 | Q | 22.8 | Very low | 22.6 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | 173.1 | 95.9 | 133.9 | -97.4 | 165 | -12.6 | 0 | 0 | 107.5 | ||||
| 607 | Q | 21 | Very low | 22.3 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | 104.1 | 107.9 | 82.3 | -159.8 | 162.9 | -3.9 | 0 | 0 | 110 | |||||
| 608 | I | 18.5 | Very low | 21.9 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | trans | -103.3 | 139 | 177.2 | -62.1 | 162 | 0 | 0 | 0 | 107.4 | ||||
| 609 | P | 20.8 | Very low | 21.2 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | -144.6 | 156.9 | 115 | 37.5 | -22.6 | 0 | 0 | 0 | 111.1 | |||||
| 610 | G | 22.4 | Very low | 20.9 | Very low | 64 Ų | 64 | 148.6 Ų | 148.6 | 66% | 0.66 | 82% | 0.819 | S | S | * | * | cis | -174.1 | 128 | -1.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 611 | L | 18.9 | Very low | 20.7 | Very low | 181 Ų | 181 | 147.4 Ų | 147.4 | 95% | 0.948 | 82% | 0.818 | S | S | * | * | 54.2 | 110.9 | 105.9 | -148.1 | 84.2 | 0 | 0 | 0 | 116.8 | |||||
| 612 | G | 22.6 | Very low | 20.5 | Very low | 80 Ų | 80 | 144.7 Ų | 144.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -170.8 | 91 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 613 | E | 19 | Very low | 20.5 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | trans | -72.4 | 147.9 | 169 | -70.8 | 172 | 135.2 | 0 | 0 | 112 | ||||
| 614 | N | 22.1 | Very low | 20.3 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | trans | 119.5 | 140.5 | 142.2 | -62.5 | -41 | 0 | 0 | 0 | 118.8 | ||||
| 615 | D | 22.1 | Very low | 20 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | 95.6 | 77 | 156.2 | -62.2 | -13.6 | 0 | 0 | 0 | 120.1 | K617 | D615-K617 PolarHBondContact O-N 3.17Š| ||
| 616 | I | 19 | Very low | 20 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | -13.7 | 117.9 | 122.8 | -57.9 | 164.9 | 0 | 0 | 0 | 113.6 | |||||
| 617 | K | 20.2 | Very low | 19.8 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -157.2 | 110.9 | 141 | -119.9 | 169.1 | -172.2 | 169.8 | 0 | 113.9 | D615 | D615-K617 PolarHBondContact O-N 3.17Š| ||
| 618 | F | 17 | Very low | 19.7 | Very low | 205 Ų | 205 | 149 Ų | 149 | 90% | 0.899 | 82% | 0.816 | S | S | * | * | trans | -64.8 | 127.6 | 157 | -98.5 | -101.4 | 0 | 0 | 0 | 110.9 | ||||
| 619 | S | 19.2 | Very low | 19.6 | Very low | 92 Ų | 92 | 149.9 Ų | 149.9 | 64% | 0.643 | 82% | 0.816 | S | S | * | * | trans | 179.1 | 105.6 | 143.9 | 53.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 620 | S | 18.7 | Very low | 19.5 | Very low | 111 Ų | 111 | 153.1 Ų | 153.1 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | 33.8 | 93.9 | 90.2 | 73.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 621 | T | 20.6 | Very low | 19.2 | Very low | 131 Ų | 131 | 154.7 Ų | 154.7 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | -173.1 | 118.9 | 129.2 | 24 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 622 | S | 18.9 | Very low | 19.2 | Very low | 114 Ų | 114 | 155.9 Ų | 155.9 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -47.3 | 131.6 | 162 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 623 | P | 21.6 | Very low | 19 | Very low | 128 Ų | 128 | 160.1 Ų | 160.1 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -105.6 | 138.9 | 161.3 | 19.4 | -0.9 | 0 | 0 | 0 | 111.4 | ||||
| 624 | K | 18.7 | Very low | 18.9 | Very low | 205 Ų | 205 | 160 Ų | 160 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | trans | -73.8 | 146.8 | -175.3 | -71.5 | 166.3 | 172.1 | 173.1 | 0 | 111.9 | ||||
| 625 | F | 17.2 | Very low | 18.8 | Very low | 184 Ų | 184 | 162.4 Ų | 162.4 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | trans | -42.9 | 135.2 | 156.1 | -86.4 | -103 | 0 | 0 | 0 | 112.4 | ||||
| 626 | N | 18.8 | Very low | 18.5 | Very low | 167 Ų | 167 | 163.5 Ų | 163.5 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -148 | 122 | 143.8 | -98 | -14.7 | 0 | 0 | 0 | 109.4 | ||||
| 627 | H | 17.5 | Very low | 18.6 | Very low | 168 Ų | 168 | 163.4 Ų | 163.4 | 78% | 0.778 | 82% | 0.822 | S | S | * | * | trans | -64.3 | 133.3 | 163.4 | -81.6 | -88.2 | 0 | 0 | 0 | 109.7 | ||||
| 628 | Q | 19 | Very low | 18.5 | Very low | 196 Ų | 196 | 162.1 Ų | 162.1 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -145.9 | 113.2 | 149.7 | -113.7 | 169.7 | -13.4 | 0 | 0 | 108.7 | ||||
| 629 | E | 16.7 | Very low | 18.6 | Very low | 181 Ų | 181 | 163.9 Ų | 163.9 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -59.7 | 137.8 | 162.7 | -64.1 | 165.9 | 138 | 0 | 0 | 109.2 | ||||
| 630 | E | 19.5 | Very low | 18.5 | Very low | 194 Ų | 194 | 168.3 Ų | 168.3 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | trans | -161.6 | 127.8 | 141.3 | -113.8 | 170.1 | -162.3 | 0 | 0 | 111.3 | ||||
| 631 | S | 15.9 | Very low | 18.6 | Very low | 98 Ų | 98 | 169.1 Ų | 169.1 | 69% | 0.685 | 83% | 0.831 | S | S | * | * | trans | -58.2 | 147.1 | 171.1 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 632 | F | 19.8 | Very low | 18.4 | Very low | 205 Ų | 205 | 169.5 Ų | 169.5 | 90% | 0.899 | 83% | 0.834 | S | S | * | * | trans | -160.1 | 153.7 | 136.2 | -115.1 | -84 | 0 | 0 | 0 | 112.1 | ||||
| 633 | K | 17.6 | Very low | 18.5 | Very low | 169 Ų | 169 | 173.8 Ų | 173.8 | 74% | 0.735 | 84% | 0.838 | S | S | * | * | trans | -81.7 | 158.8 | -157.1 | -68.5 | 169.8 | 166.4 | 177.7 | 0 | 116.2 | ||||
| 634 | E | 16.9 | Very low | 18.3 | Very low | 164 Ų | 164 | 177.8 Ų | 177.8 | 77% | 0.766 | 84% | 0.837 | S | S | * | * | trans | 25.5 | 121.8 | 137.1 | -63.3 | 169 | 155.3 | 0 | 0 | 118.9 | ||||
| 635 | H | 19.5 | Very low | 18.5 | Very low | 190 Ų | 190 | 171.1 Ų | 171.1 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | trans | -155.3 | 117.5 | 135 | -110 | -70.1 | 0 | 0 | 0 | 111 | ||||
| 636 | E | 16.7 | Very low | 18.6 | Very low | 174 Ų | 174 | 170.2 Ų | 170.2 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | -66.7 | 135.4 | 154 | -69 | 173.2 | 143.7 | 0 | 0 | 108.8 | ||||
| 637 | D | 19.9 | Very low | 18.8 | Very low | 156 Ų | 156 | 165.6 Ų | 165.6 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | 177.3 | 145.1 | 117.5 | -103.5 | -24.8 | 0 | 0 | 0 | 112.6 | |||||
| 638 | E | 18.1 | Very low | 19 | Very low | 173 Ų | 173 | 167.1 Ų | 167.1 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | trans | -61 | 133.4 | 175.9 | -58.9 | 168.5 | 149.8 | 0 | 0 | 113.1 | ||||
| 639 | R | 19.1 | Very low | 19.3 | Very low | 241 Ų | 241 | 165.8 Ų | 165.8 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | -174.1 | 124.6 | 123 | -109.2 | 172.7 | -90 | -146.9 | -4.3 | 113.3 | |||||
| 640 | E | 17.6 | Very low | 19.6 | Very low | 185 Ų | 185 | 166.5 Ų | 166.5 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -51 | 134.8 | 156 | -63.1 | 171.6 | 143.2 | 0 | 0 | 110.9 | ||||
| 641 | T | 20.4 | Very low | 20 | Very low | 128 Ų | 128 | 165.1 Ų | 165.1 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | -169 | 114.3 | 128.9 | 17.9 | 0 | 0 | 0 | 0 | 109.5 | F643 | T641-F643 PolarHBondContact O-N 2.86Š| |||
| 642 | T | 17.7 | Very low | 20.4 | Very low | 140 Ų | 140 | 168.5 Ų | 168.5 | 86% | 0.859 | 82% | 0.822 | S | S | * | * | trans | -46.1 | 114.8 | 161.7 | 29.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 643 | F | 20.5 | Very low | 21 | Very low | 204 Ų | 204 | 165.9 Ų | 165.9 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | -124.7 | 120.9 | 155.5 | -109.6 | -87 | 0 | 0 | 0 | 110.6 | T641 | T641-F643 PolarHBondContact O-N 2.86Š| ||
| 644 | R | 17.4 | Very low | 21.4 | Very low | 211 Ų | 211 | 161.8 Ų | 161.8 | 80% | 0.796 | 82% | 0.819 | S | S | * | * | trans | -75.6 | 129.1 | 175.4 | 173.5 | -176 | 175.8 | 177.1 | -0.6 | 109.5 | E646 | R644-E646 IonicContact CZ-OE1 2.67Å; R644-E646 IonicContact NE-OE1 3.98Å; R644-E646 PolarHBondContact NE-OE1 3.49Å; R644-E646 IonicContact NH2-OE1 3.18Å; R644-E646 PolarHBondContact NH2-OE1 2.95Å | ||
| 645 | G | 23 | Very low | 22.2 | Very low | 65 Ų | 65 | 160.1 Ų | 160.1 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | trans | -163.5 | 103.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 646 | E | 19.1 | Very low | 22.8 | Very low | 165 Ų | 165 | 160 Ų | 160 | 77% | 0.771 | 82% | 0.815 | S | S | * | * | 42.7 | 81.3 | 74.2 | -71.1 | 179.5 | -149.4 | 0 | 0 | 110.6 | R644 | R644-E646 IonicContact CZ-OE1 2.67Å; R644-E646 IonicContact NE-OE1 3.98Å; R644-E646 PolarHBondContact NE-OE1 3.49Å; R644-E646 IonicContact NH2-OE1 3.18Å; R644-E646 PolarHBondContact NH2-OE1 2.95Å | |||
| 647 | G | 23.2 | Very low | 23.5 | Very low | 70 Ų | 70 | 160.7 Ų | 160.7 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | -157.3 | 107.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | E649 | G647-E649 PolarHBondContact O-N 3.26Š| ||
| 648 | E | 21.9 | Very low | 24.2 | Very low | 200 Ų | 200 | 160.2 Ų | 160.2 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | -62.3 | 121.5 | 177.9 | -65 | 162.2 | 151.8 | 0 | 0 | 109.8 | ||||
| 649 | E | 24.7 | Very low | 25 | Very low | 168 Ų | 168 | 160.7 Ų | 160.7 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -116.5 | 101.1 | 162.5 | -80 | -172.8 | 171.4 | 0 | 0 | 107.8 | G647 K651 | G647-E649 PolarHBondContact O-N 3.26Å; E649-K651 PolarHBondContact O-N 3.2Å | ||
| 650 | E | 23.2 | Very low | 26.1 | Very low | 197 Ų | 197 | 157.6 Ų | 157.6 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -56.5 | 116.6 | 160.5 | -74.6 | 173.8 | 150.5 | 0 | 0 | 108.5 | ||||
| 651 | K | 27.6 | Very low | 27.8 | Very low | 164 Ų | 164 | 157.1 Ų | 157.1 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | trans | -117.2 | 106.9 | 162.3 | -84.4 | -175.5 | 177.8 | 175.1 | 0 | 108.1 | E649 E653 | E649-K651 PolarHBondContact O-N 3.2Å; K651-E653 PolarHBondContact O-N 2.79Å; K651-E653 VanDerWaalsContact O-N 3.09Å | ||
| 652 | D | 24.1 | Very low | 29.6 | Very low | 170 Ų | 170 | 160.3 Ų | 160.3 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -60.1 | 99.3 | 161.6 | -74.6 | -45.6 | 0 | 0 | 0 | 109.2 | ||||
| 653 | E | 32.3 | Very low | 31.8 | Very low | 150 Ų | 150 | 156.3 Ų | 156.3 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -114 | 95.4 | 159.5 | -83.1 | 177.7 | 172.6 | 0 | 0 | 107.4 | K651 D655 | K651-E653 PolarHBondContact O-N 2.79Å; K651-E653 VanDerWaalsContact O-N 3.09Å; E653-D655 PolarHBondContact O-N 3.14Å | ||
| 654 | G | 27.6 | Very low | 34.2 | Very low | 83 Ų | 83 | 148 Ų | 148 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | trans | -72.7 | 81.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | E656 | G654-E656 PolarHBondContact O-N 3.12Š| ||
| 655 | D | 32.2 | Very low | 37.2 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | trans | -74.9 | 118.6 | 166.6 | -75.4 | -32 | 0 | 0 | 0 | 108.4 | E653 E657 | E653-D655 PolarHBondContact O-N 3.14Å; D655-E657 PolarHBondContact O-N 2.94Å | ||
| 656 | E | 33.2 | Very low | 39.7 | Very low | 187 Ų | 187 | 141.5 Ų | 141.5 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | trans | -56.7 | 104 | 165.2 | -70.8 | 178.9 | 162.4 | 0 | 0 | 107.8 | G654 I658 | G654-E656 PolarHBondContact O-N 3.12Å; E656-I658 VanDerWaalsContact C-N 3.27Å; E656-I658 PolarHBondContact O-N 3.35Å | ||
| 657 | E | 31.5 | Very low | 42.5 | Very low | 188 Ų | 188 | 135.9 Ų | 135.9 | 88% | 0.879 | 69% | 0.686 | S | S | * | * | trans | -57.9 | 92.9 | 169.7 | -75 | -179.6 | 165.3 | 0 | 0 | 108.4 | D655 E659 | D655-E657 PolarHBondContact O-N 2.94Å; E657-E659 PolarHBondContact O-N 2.89Å; E657-E659 VanDerWaalsContact O-N 3.1Å | ||
| 658 | I | 33.4 | Very low | 45.2 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | trans | -59 | 112.6 | 158.5 | -62.7 | 172.4 | 0 | 0 | 0 | 104.3 | E656 E660 | E656-I658 VanDerWaalsContact C-N 3.27Å; E656-I658 PolarHBondContact O-N 3.35Å; I658-E660 PolarHBondContact O-N 2.92Å | ||
| 659 | E | 34.7 | Very low | 48.1 | Very low | 184 Ų | 184 | 132.8 Ų | 132.8 | 86% | 0.86 | 65% | 0.647 | S | S | * | * | trans | -54.2 | 92.4 | 170.8 | -70.3 | 179.9 | 168.6 | 0 | 0 | 108.1 | E657 E661 | E657-E659 PolarHBondContact O-N 2.89Å; E657-E659 VanDerWaalsContact O-N 3.1Å; E659-E661 PolarHBondContact O-N 3.42Å | ||
| 660 | E | 43.4 | Very low | 50.7 | Low | 175 Ų | 175 | 124.8 Ų | 124.8 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | -62 | 105.8 | 166.8 | -73.8 | -170.7 | 164.1 | 0 | 0 | 105.8 | I658 E662 | I658-E660 PolarHBondContact O-N 2.92Å; E660-E662 PolarHBondContact O-N 3.11Å | ||
| 661 | E | 52.4 | Low | 53.3 | Low | 176 Ų | 176 | 117.6 Ų | 117.6 | 82% | 0.822 | 58% | 0.577 | S | S | * | * | trans | -47.6 | 113.9 | 170.3 | -74.4 | -178.9 | 158.6 | 0 | 0 | 107.9 | E659 M663 | E659-E661 PolarHBondContact O-N 3.42Å; E661-M663 VanDerWaalsContact C-N 3.34Å; E661-M663 PolarHBondContact O-N 2.99Å | ||
| 662 | E | 57.6 | Low | 55.8 | Low | 194 Ų | 194 | 117.2 Ų | 117.2 | 91% | 0.907 | 58% | 0.575 | S | S | * | * | trans | -59.3 | 94.8 | -175.1 | -79.9 | -169.7 | 149.1 | 0 | 0 | 109.9 | E660 S664 | E660-E662 PolarHBondContact O-N 3.11Å; E662-S664 PolarHBondContact O-N 2.73Å | ||
| 663 | M | 64.7 | Low | 58.5 | Low | 57 Ų | 57 | 109.9 Ų | 109.9 | 28% | 0.281 | 54% | 0.54 | S | S | . | . | trans | -55.1 | 131.7 | 176.6 | -176.6 | -170.1 | -62.7 | 0 | 0 | 110.3 | E661 E667 K668 M671 | E661-M663 VanDerWaalsContact C-N 3.34Å; E661-M663 PolarHBondContact O-N 2.99Å; M663-E667 HydrophobicContact CG-CB 3.79Å; M663-E667 WeakPolarHBondContact CG-OE2 3.42Å; M663-E667 HydrophobicContact SD-CB 4.26Å; M663-K668 HydrophobicContact CG-CG 4.23Å; M663-K668 WeakPolarHBondContact O-CE 3.3Å; M663-K668 HydrophobicContact SD-CG 3.79Å; M663-M671 HydrophobicContact CE-CE 3.8Å; M663-M671 HydrophobicContact SD-CE 3.3Å; M663-M671 WeakPolarHBondContact SD-CE 3.2Å; M663-M671 HydrophobicContact SD-SD 4.41Å | ||
| 664 | S | 71.4 | Confident | 61 | Low | 28 Ų | 28 | 105 Ų | 105 | 20% | 0.196 | 52% | 0.52 | C | S | . | . | trans | -61.8 | 149.5 | -175.4 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | E662 L666 E667 K668 | E662-S664 PolarHBondContact O-N 2.73Å; S664-L666 PolarHBondContact O-N 3.12Å; S664-L666 VanDerWaalsContact O-N 3.12Å; S664-E667 WeakPolarHBondContact CB-OE2 3.14Å; S664-E667 PolarHBondContact N-OE2 3.48Å; S664-E667 PolarHBondContact O-N 2.91Å; S664-E667 WeakPolarHBondContact OG-CB 3.46Å; S664-E667 WeakPolarHBondContact OG-CG 3.28Å; S664-E667 PolarHBondContact OG-N 2.89Å; S664-E667 PolarHBondContact OG-OE2 3.38Å; S664-K668 PolarHBondContact O-N 2.89Å; S664-K668 VanDerWaalsContact O-N 3.14Å | ||
| 665 | W | 80.2 | Confident | 63.7 | Low | 117 Ų | 117 | 110 Ų | 110 | 44% | 0.443 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.4 | -28.7 | 177.4 | 72.8 | -91.2 | 0 | 0 | 0 | 112.9 | Y4 W669 | Y4-W665 HydrophobicContact CE2-CD2 4.38Å; Y4-W665 AromaticContact CE2-CE2 3.87Å; Y4-W665 HydrophobicContact CE2-CZ2 4.09Å; Y4-W665 AromaticContact CE2-NE1 3.93Å; Y4-W665 AromaticContact CZ-CD2 3.72Å; Y4-W665 AromaticContact CZ-CE2 3.64Å; Y4-W665 AromaticContact CZ-CZ2 3.93Å; Y4-W665 VanDerWaalsContact OH-CE3 3.3Å; Y4-W665 PolarHBondContact OH-NE1 3.32Å; W665-W669 WeakPolarHBondContact O-CB 3.42Å; W665-W669 PolarHBondContact O-N 3.09Å |
| 666 | L | 75.7 | Confident | 66.1 | Low | 24 Ų | 24 | 107.1 Ų | 107.1 | 13% | 0.126 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -74.1 | -38.8 | -177.8 | -174.9 | 65.3 | 0 | 0 | 0 | 110.8 | S664 W669 A670 Y680 I683 V687 | S664-L666 PolarHBondContact O-N 3.12Å; S664-L666 VanDerWaalsContact O-N 3.12Å; L666-W669 HydrophobicContact CD1-CE3 4.05Å; L666-W669 WeakPolarHBondContact O-CB 3.39Å; L666-W669 PolarHBondContact O-N 2.9Å; L666-A670 WeakPolarHBondContact O-CB 3.36Å; L666-A670 PolarHBondContact O-N 3.49Å; L666-Y680 HydrophobicContact CD2-CD2 4.12Å; L666-Y680 HydrophobicContact CD2-CE2 3.88Å; L666-Y680 HydrophobicContact CG-CD2 3.86Å; L666-Y680 HydrophobicContact CG-CE2 3.88Å; L666-I683 HydrophobicContact CD1-CD1 4.36Å; L666-V687 HydrophobicContact CD2-CG2 4.14Å |
| 667 | E | 78.4 | Confident | 68.5 | Low | 47 Ų | 47 | 98.5 Ų | 98.5 | 22% | 0.22 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 172.4 | -71.7 | 164.5 | 149.1 | 0 | 0 | 111.1 | M663 S664 W669 A670 M671 L786 | M663-E667 HydrophobicContact CG-CB 3.79Å; M663-E667 WeakPolarHBondContact CG-OE2 3.42Å; M663-E667 HydrophobicContact SD-CB 4.26Å; S664-E667 WeakPolarHBondContact CB-OE2 3.14Å; S664-E667 PolarHBondContact N-OE2 3.48Å; S664-E667 PolarHBondContact O-N 2.91Å; S664-E667 WeakPolarHBondContact OG-CB 3.46Å; S664-E667 WeakPolarHBondContact OG-CG 3.28Å; S664-E667 PolarHBondContact OG-N 2.89Å; S664-E667 PolarHBondContact OG-OE2 3.38Å; E667-W669 PolarHBondContact O-N 3.21Å; E667-A670 WeakPolarHBondContact O-CB 3.33Å; E667-A670 PolarHBondContact O-N 2.99Å; E667-A670 VanDerWaalsContact O-N 3.11Å; E667-M671 HydrophobicContact CB-CE 4.34Å; E667-M671 WeakPolarHBondContact O-CG 3.24Å; E667-M671 PolarHBondContact O-N 2.87Å; E667-M671 VanDerWaalsContact O-N 3.14Å; E667-L786 HydrophobicContact CG-CD2 4.17Å |
| 668 | K | 79.2 | Confident | 71.1 | Confident | 126 Ų | 126 | 92 Ų | 92 | 55% | 0.548 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.2 | -37.7 | 172.9 | -67.2 | -178.7 | -177.1 | 178.8 | 0 | 111.6 | M663 S664 | M663-K668 HydrophobicContact CG-CG 4.23Å; M663-K668 WeakPolarHBondContact O-CE 3.3Å; M663-K668 HydrophobicContact SD-CG 3.79Å; S664-K668 PolarHBondContact O-N 2.89Å; S664-K668 VanDerWaalsContact O-N 3.14Å |
| 669 | W | 82 | Confident | 73.5 | Confident | 79 Ų | 79 | 86.7 Ų | 86.7 | 30% | 0.299 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.4 | -43 | 175 | 176.9 | 80.8 | 0 | 0 | 0 | 112.7 | W665 L666 E667 M671 K672 H676 A679 | W665-W669 WeakPolarHBondContact O-CB 3.42Å; W665-W669 PolarHBondContact O-N 3.09Å; L666-W669 HydrophobicContact CD1-CE3 4.05Å; L666-W669 WeakPolarHBondContact O-CB 3.39Å; L666-W669 PolarHBondContact O-N 2.9Å; E667-W669 PolarHBondContact O-N 3.21Å; W669-M671 PolarHBondContact O-N 3.47Å; W669-K672 WeakPolarHBondContact O-CB 3.37Å; W669-K672 WeakPolarHBondContact O-CG 3.36Å; W669-K672 PolarHBondContact O-N 3.21Å; W669-K672 VanDerWaalsContact O-N 3.14Å; W669-H676 AromaticContact CE2-CD2 3.44Å; W669-H676 VanDerWaalsContact CE2-CD2 3.44Å; W669-H676 AromaticContact CZ2-CD2 3.56Å; W669-H676 AromaticContact NE1-CD2 3.41Å; W669-H676 PolarHBondContact NE1-CD2 3.48Å; W669-H676 AromaticContact NE1-NE2 3.93Å; W669-H676 WeakPolarHBondContact O-CB 3.41Å; W669-A679 HydrophobicContact CH2-CB 3.8Å; W669-A679 HydrophobicContact CZ3-CB 4.25Å |
| 670 | A | 80.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.6 | -31.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L666 E667 K672 H677 Y680 | L666-A670 WeakPolarHBondContact O-CB 3.36Å; L666-A670 PolarHBondContact O-N 3.49Å; E667-A670 WeakPolarHBondContact O-CB 3.33Å; E667-A670 PolarHBondContact O-N 2.99Å; E667-A670 VanDerWaalsContact O-N 3.11Å; A670-K672 VanDerWaalsContact C-N 3.34Å; A670-K672 PolarHBondContact O-N 3.22Å; A670-H677 WeakPolarHBondContact O-CA 3.14Å; A670-H677 WeakPolarHBondContact O-CB 3.45Å; A670-H677 PolarHBondContact O-N 3.36Å; A670-H677 VanDerWaalsContact O-N 3.09Å; A670-Y680 HydrophobicContact CB-CD1 4.4Å; A670-Y680 HydrophobicContact CB-CD2 3.84Å; A670-Y680 HydrophobicContact CB-CG 3.68Å |
| 671 | M | 77 | Confident | 77.7 | Confident | 45 Ų | 45 | 73.3 Ų | 73.3 | 22% | 0.222 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -12 | -179.7 | -65.5 | -174.9 | -143.3 | 0 | 0 | 114.9 | M663 E667 W669 G673 V784 | M663-M671 HydrophobicContact CE-CE 3.8Å; M663-M671 HydrophobicContact SD-CE 3.3Å; M663-M671 WeakPolarHBondContact SD-CE 3.2Å; M663-M671 HydrophobicContact SD-SD 4.41Å; E667-M671 HydrophobicContact CB-CE 4.34Å; E667-M671 WeakPolarHBondContact O-CG 3.24Å; E667-M671 PolarHBondContact O-N 2.87Å; E667-M671 VanDerWaalsContact O-N 3.14Å; W669-M671 PolarHBondContact O-N 3.47Å; M671-G673 PolarHBondContact O-N 3.41Å; M671-G673 VanDerWaalsContact O-N 3.12Å; M671-V784 VanDerWaalsContact CE-O 3.27Å; M671-V784 WeakPolarHBondContact CE-O 3.22Å |
| 672 | K | 80.8 | Confident | 79.2 | Confident | 156 Ų | 156 | 66.3 Ų | 66.3 | 68% | 0.678 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.5 | -176.4 | -68.6 | -174.5 | 178.9 | -172.5 | 0 | 114.3 | W669 A670 | W669-K672 WeakPolarHBondContact O-CB 3.37Å; W669-K672 WeakPolarHBondContact O-CG 3.36Å; W669-K672 PolarHBondContact O-N 3.21Å; W669-K672 VanDerWaalsContact O-N 3.14Å; A670-K672 VanDerWaalsContact C-N 3.34Å; A670-K672 PolarHBondContact O-N 3.22Å |
| 673 | G | 81 | Confident | 80.4 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | trans | 174.8 | 172 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M671 W675 H676 H677 | M671-G673 PolarHBondContact O-N 3.41Å; M671-G673 VanDerWaalsContact O-N 3.12Å; G673-W675 VanDerWaalsContact C-N 3.28Å; G673-W675 PolarHBondContact O-N 2.96Å; G673-H676 WeakPolarHBondContact O-CB 3.37Å; G673-H676 PolarHBondContact O-N 3.44Å; G673-H676 VanDerWaalsContact O-N 3.08Å; G673-H677 PolarHBondContact O-N 3.31Å | ||
| 674 | V | 83.7 | Confident | 80.9 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -54 | -41.3 | -175.2 | -178.6 | 0 | 0 | 0 | 0 | 112.9 | F678 P795 W852 | V674-F678 WeakPolarHBondContact O-CB 3.3Å; V674-F678 PolarHBondContact O-N 3.01Å; V674-P795 HydrophobicContact CG1-CG 3.85Å; V674-W852 HydrophobicContact CB-CE3 4.42Å; V674-W852 HydrophobicContact CG2-CB 4Å; V674-W852 HydrophobicContact CG2-CD2 3.49Å; V674-W852 VanDerWaalsContact CG2-CD2 3.49Å; V674-W852 HydrophobicContact CG2-CE3 3.64Å; V674-W852 HydrophobicContact CG2-CG 3.67Å; V674-W852 HydrophobicContact CG2-CZ3 4.27Å |
| 675 | W | 85.1 | Confident | 81.1 | Confident | 188 Ų | 188 | 60 Ų | 60 | 71% | 0.712 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -76.9 | -31.5 | -179.5 | -67.9 | 116.4 | 0 | 0 | 0 | 113.6 | G673 H677 F678 A679 | G673-W675 VanDerWaalsContact C-N 3.28Å; G673-W675 PolarHBondContact O-N 2.96Å; W675-H677 VanDerWaalsContact C-N 3.34Å; W675-F678 HydrophobicContact CE3-CB 4.36Å; W675-F678 HydrophobicContact CE3-CD1 4.21Å; W675-F678 HydrophobicContact CE3-CG 4.39Å; W675-F678 HydrophobicContact CZ3-CD1 4.39Å; W675-F678 PolarHBondContact O-N 3.1Å; W675-A679 WeakPolarHBondContact O-CB 3.31Å; W675-A679 PolarHBondContact O-N 3.23Å |
| 676 | H | 83.3 | Confident | 80.7 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 32% | 0.319 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 171.5 | -63.6 | 99.3 | 0 | 0 | 0 | 110.4 | W669 G673 A679 Y680 | W669-H676 AromaticContact CE2-CD2 3.44Å; W669-H676 VanDerWaalsContact CE2-CD2 3.44Å; W669-H676 AromaticContact CZ2-CD2 3.56Å; W669-H676 AromaticContact NE1-CD2 3.41Å; W669-H676 PolarHBondContact NE1-CD2 3.48Å; W669-H676 AromaticContact NE1-NE2 3.93Å; W669-H676 WeakPolarHBondContact O-CB 3.41Å; G673-H676 WeakPolarHBondContact O-CB 3.37Å; G673-H676 PolarHBondContact O-N 3.44Å; G673-H676 VanDerWaalsContact O-N 3.08Å; H676-A679 PolarHBondContact O-N 2.8Å; H676-Y680 PolarHBondContact O-N 3.44Å |
| 677 | H | 82.9 | Confident | 80.7 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.028 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 174.8 | -171.2 | -114 | 0 | 0 | 0 | 112.2 | A670 G673 W675 Y680 Y681 W792 | A670-H677 WeakPolarHBondContact O-CA 3.14Å; A670-H677 WeakPolarHBondContact O-CB 3.45Å; A670-H677 PolarHBondContact O-N 3.36Å; A670-H677 VanDerWaalsContact O-N 3.09Å; G673-H677 PolarHBondContact O-N 3.31Å; W675-H677 VanDerWaalsContact C-N 3.34Å; H677-Y680 PolarHBondContact O-N 2.96Å; H677-Y681 AromaticContact CE1-CE2 3.46Å; H677-Y681 VanDerWaalsContact CE1-CE2 3.46Å; H677-Y681 WeakPolarHBondContact CE1-CE2 3.48Å; H677-Y681 AromaticContact ND1-CE2 3.9Å; H677-Y681 AromaticContact NE2-CE2 3.49Å; H677-Y681 WeakPolarHBondContact NE2-CE2 3.4Å; H677-Y681 VanDerWaalsContact O-CD2 3.3Å; H677-Y681 WeakPolarHBondContact O-CD2 3.46Å; H677-Y681 PolarHBondContact O-N 2.83Å; H677-W792 PolarHBondContact CE1-O 3.35Å |
| 678 | F | 87.1 | Confident | 80.4 | Confident | 50 Ų | 50 | 64.8 Ų | 64.8 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 172.2 | 175.7 | -96.1 | 0 | 0 | 0 | 111.8 | V674 W675 Y680 Y681 M682 P795 L796 | V674-F678 WeakPolarHBondContact O-CB 3.3Å; V674-F678 PolarHBondContact O-N 3.01Å; W675-F678 HydrophobicContact CE3-CB 4.36Å; W675-F678 HydrophobicContact CE3-CD1 4.21Å; W675-F678 HydrophobicContact CE3-CG 4.39Å; W675-F678 HydrophobicContact CZ3-CD1 4.39Å; W675-F678 PolarHBondContact O-N 3.1Å; F678-Y680 VanDerWaalsContact C-N 3.34Å; F678-Y680 PolarHBondContact O-N 2.99Å; F678-Y681 PolarHBondContact O-N 3.47Å; F678-M682 HydrophobicContact CD1-CG 4.2Å; F678-M682 HydrophobicContact CE1-CG 3.77Å; F678-M682 HydrophobicContact CE2-CG 4.15Å; F678-M682 HydrophobicContact CE2-SD 4.32Å; F678-M682 HydrophobicContact CZ-CE 4.47Å; F678-M682 HydrophobicContact CZ-CG 3.74Å; F678-M682 HydrophobicContact CZ-SD 4.04Å; F678-M682 VanDerWaalsContact O-CG 3.29Å; F678-M682 WeakPolarHBondContact O-CG 3.49Å; F678-M682 PolarHBondContact O-N 3.1Å; F678-P795 HydrophobicContact CB-CG 4.03Å; F678-P795 HydrophobicContact CD2-CB 4.38Å; F678-P795 HydrophobicContact CD2-CG 3.97Å; F678-P795 HydrophobicContact CG-CG 4.33Å; F678-L796 HydrophobicContact CD2-CB 4.01Å; F678-L796 HydrophobicContact CE2-CB 3.99Å; F678-L796 HydrophobicContact CE2-CD1 4.06Å |
| 679 | A | 83.2 | Confident | 80.2 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W669 W675 H676 Y681 M682 I683 | W669-A679 HydrophobicContact CH2-CB 3.8Å; W669-A679 HydrophobicContact CZ3-CB 4.25Å; W675-A679 WeakPolarHBondContact O-CB 3.31Å; W675-A679 PolarHBondContact O-N 3.23Å; H676-A679 PolarHBondContact O-N 2.8Å; A679-Y681 PolarHBondContact O-N 2.59Å; A679-M682 PolarHBondContact O-N 3Å; A679-I683 WeakPolarHBondContact O-CG1 3.27Å; A679-I683 PolarHBondContact O-N 2.95Å |
| 680 | Y | 83.4 | Confident | 80.1 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 24% | 0.235 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.1 | -49.7 | 174.6 | 174.9 | -91.5 | 0 | 0 | 0 | 111.9 | L666 A670 H676 H677 F678 M682 I683 L786 | L666-Y680 HydrophobicContact CD2-CD2 4.12Å; L666-Y680 HydrophobicContact CD2-CE2 3.88Å; L666-Y680 HydrophobicContact CG-CD2 3.86Å; L666-Y680 HydrophobicContact CG-CE2 3.88Å; A670-Y680 HydrophobicContact CB-CD1 4.4Å; A670-Y680 HydrophobicContact CB-CD2 3.84Å; A670-Y680 HydrophobicContact CB-CG 3.68Å; H676-Y680 PolarHBondContact O-N 3.44Å; H677-Y680 PolarHBondContact O-N 2.96Å; F678-Y680 VanDerWaalsContact C-N 3.34Å; F678-Y680 PolarHBondContact O-N 2.99Å; Y680-M682 PolarHBondContact O-N 3.27Å; Y680-I683 WeakPolarHBondContact O-CB 3.33Å; Y680-I683 PolarHBondContact O-N 3.36Å; Y680-I683 VanDerWaalsContact O-N 3.16Å; Y680-L786 HydrophobicContact CD1-CD2 4.06Å; Y680-L786 HydrophobicContact CE1-CD2 3.37Å; Y680-L786 HydrophobicContact CE2-CD2 4.43Å |
| 681 | Y | 81.6 | Confident | 80.1 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 8% | 0.075 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.5 | -13.1 | 179.1 | -83.7 | -66.3 | 0 | 0 | 0 | 115.2 | H677 F678 A679 R712 G791 C793 | H677-Y681 AromaticContact CE1-CE2 3.46Å; H677-Y681 VanDerWaalsContact CE1-CE2 3.46Å; H677-Y681 WeakPolarHBondContact CE1-CE2 3.48Å; H677-Y681 AromaticContact ND1-CE2 3.9Å; H677-Y681 AromaticContact NE2-CE2 3.49Å; H677-Y681 WeakPolarHBondContact NE2-CE2 3.4Å; H677-Y681 VanDerWaalsContact O-CD2 3.3Å; H677-Y681 WeakPolarHBondContact O-CD2 3.46Å; H677-Y681 PolarHBondContact O-N 2.83Å; F678-Y681 PolarHBondContact O-N 3.47Å; A679-Y681 PolarHBondContact O-N 2.59Å; Y681-R712 PolarHBondContact O-NE 2.83Å; Y681-G791 WeakPolarHBondContact OH-CA 3.39Å; Y681-C793 HydrophobicContact CD2-CB 3.76Å; Y681-C793 HydrophobicContact CE2-CB 4.09Å; Y681-C793 HydrophobicContact CG-CB 4.41Å |
| 682 | M | 84.3 | Confident | 80.4 | Confident | 29 Ų | 29 | 70.2 Ų | 70.2 | 14% | 0.143 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -94.4 | -8.5 | 177.5 | -68.8 | -64.4 | -67.7 | 0 | 0 | 112.7 | F678 A679 Y680 P684 L709 R712 L713 L796 | F678-M682 HydrophobicContact CD1-CG 4.2Å; F678-M682 HydrophobicContact CE1-CG 3.77Å; F678-M682 HydrophobicContact CE2-CG 4.15Å; F678-M682 HydrophobicContact CE2-SD 4.32Å; F678-M682 HydrophobicContact CZ-CE 4.47Å; F678-M682 HydrophobicContact CZ-CG 3.74Å; F678-M682 HydrophobicContact CZ-SD 4.04Å; F678-M682 VanDerWaalsContact O-CG 3.29Å; F678-M682 WeakPolarHBondContact O-CG 3.49Å; F678-M682 PolarHBondContact O-N 3.1Å; A679-M682 PolarHBondContact O-N 3Å; Y680-M682 PolarHBondContact O-N 3.27Å; M682-P684 VanDerWaalsContact O-CD 3.25Å; M682-P684 WeakPolarHBondContact O-CD 3.24Å; M682-L709 HydrophobicContact CE-CD1 3.84Å; M682-L709 HydrophobicContact CE-CD2 4.05Å; M682-L709 HydrophobicContact CE-CG 3.58Å; M682-R712 HydrophobicContact SD-CG 4.14Å; M682-L713 HydrophobicContact CE-CD1 4.25Å; M682-L713 HydrophobicContact CE-CD2 3.63Å; M682-L713 HydrophobicContact CE-CG 3.81Å; M682-L713 HydrophobicContact SD-CD2 3.88Å; M682-L713 HydrophobicContact SD-CG 4.39Å; M682-L796 HydrophobicContact SD-CD1 4.4Å |
| 683 | I | 82.9 | Confident | 80.4 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 27% | 0.272 | 32% | 0.324 | S | S | . | . | trans | -69.8 | 116.5 | 175.4 | -62.8 | 169.8 | 0 | 0 | 0 | 108.1 | L666 A679 Y680 I685 V687 | L666-I683 HydrophobicContact CD1-CD1 4.36Å; A679-I683 WeakPolarHBondContact O-CG1 3.27Å; A679-I683 PolarHBondContact O-N 2.95Å; Y680-I683 WeakPolarHBondContact O-CB 3.33Å; Y680-I683 PolarHBondContact O-N 3.36Å; Y680-I683 VanDerWaalsContact O-N 3.16Å; I683-I685 VanDerWaalsContact CG2-O 3.3Å; I683-I685 WeakPolarHBondContact CG2-O 3.33Å; I683-V687 HydrophobicContact CG2-CG2 4.44Å | ||
| 684 | P | 76.4 | Confident | 80.8 | Confident | 41 Ų | 41 | 67 Ų | 67 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | trans | -84.6 | -18.5 | 179.9 | 29.4 | -25.4 | 0 | 0 | 0 | 112.6 | M682 T705 F708 | M682-P684 VanDerWaalsContact O-CD 3.25Å; M682-P684 WeakPolarHBondContact O-CD 3.24Å; P684-T705 HydrophobicContact CB-CG2 4.32Å; P684-T705 HydrophobicContact CG-CG2 3.48Å; P684-T705 VanDerWaalsContact CG-CG2 3.48Å; P684-F708 HydrophobicContact CB-CB 4.29Å; P684-F708 HydrophobicContact CB-CD1 3.47Å; P684-F708 VanDerWaalsContact CB-CD1 3.47Å; P684-F708 HydrophobicContact CB-CE1 3.98Å; P684-F708 HydrophobicContact CB-CG 4.01Å | ||
| 685 | I | 74.2 | Confident | 80.8 | Confident | 51 Ų | 51 | 70.3 Ų | 70.3 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -93.9 | 121.7 | -173.4 | -62.8 | 171.6 | 0 | 0 | 0 | 108.7 | I683 V687 W690 | I683-I685 VanDerWaalsContact CG2-O 3.3Å; I683-I685 WeakPolarHBondContact CG2-O 3.33Å; I685-V687 PolarHBondContact O-N 3.41Å; I685-W690 HydrophobicContact CD1-CH2 4.32Å; I685-W690 HydrophobicContact CD1-CZ3 4.19Å; I685-W690 HydrophobicContact CG1-CZ3 4.3Å; I685-W690 HydrophobicContact CG2-CB 4.38Å; I685-W690 HydrophobicContact CG2-CD2 3.88Å; I685-W690 HydrophobicContact CG2-CE3 3.31Å; I685-W690 HydrophobicContact CG2-CG 4.37Å; I685-W690 HydrophobicContact CG2-CZ3 3.76Å |
| 686 | D | 72.9 | Confident | 80.7 | Confident | 82 Ų | 82 | 68.2 Ų | 68.2 | 44% | 0.439 | 36% | 0.357 | S | S | . | . | trans | -67 | 103 | 166.4 | 177.2 | 6.1 | 0 | 0 | 0 | 109.4 | E688 S689 W690 | D686-E688 PolarHBondContact O-N 3Å; D686-E688 PolarHBondContact OD1-N 3.01Å; D686-E688 VanDerWaalsContact OD1-N 3.15Å; D686-S689 PolarHBondContact OD1-N 2.97Å; D686-S689 WeakPolarHBondContact OD2-CB 3.24Å; D686-S689 PolarHBondContact OD2-OG 3.32Å; D686-W690 WeakPolarHBondContact O-CB 3.01Å; D686-W690 PolarHBondContact O-N 2.99Å; D686-W690 VanDerWaalsContact O-N 3.11Å | ||
| 687 | V | 76.1 | Confident | 80.7 | Confident | 62 Ų | 62 | 66.7 Ų | 66.7 | 38% | 0.376 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -29.6 | -174.8 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | L666 I683 I685 | L666-V687 HydrophobicContact CD2-CG2 4.14Å; I683-V687 HydrophobicContact CG2-CG2 4.44Å; I685-V687 PolarHBondContact O-N 3.41Å |
| 688 | E | 71.1 | Confident | 80.7 | Confident | 145 Ų | 145 | 69.8 Ų | 69.8 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -44.3 | -175.9 | -64.5 | -177.1 | 179.1 | 0 | 0 | 111.5 | D686 P691 | D686-E688 PolarHBondContact O-N 3Å; D686-E688 PolarHBondContact OD1-N 3.01Å; D686-E688 VanDerWaalsContact OD1-N 3.15Å; E688-P691 WeakPolarHBondContact O-CD 3.37Å |
| 689 | S | 74.9 | Confident | 80.5 | Confident | 33 Ų | 33 | 73.2 Ų | 73.2 | 23% | 0.231 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -17 | 178.5 | 72.1 | 0 | 0 | 0 | 0 | 113.6 | D686 P691 Q692 Q693 | D686-S689 PolarHBondContact OD1-N 2.97Å; D686-S689 WeakPolarHBondContact OD2-CB 3.24Å; D686-S689 PolarHBondContact OD2-OG 3.32Å; S689-P691 VanDerWaalsContact C-CD 3.47Å; S689-Q692 PolarHBondContact O-N 3.46Å; S689-Q693 WeakPolarHBondContact O-CG 3.48Å; S689-Q693 PolarHBondContact O-N 3.23Å; S689-Q693 PolarHBondContact OG-NE2 3.37Å |
| 690 | W | 79.3 | Confident | 80.3 | Confident | 67 Ų | 67 | 73.9 Ų | 73.9 | 25% | 0.254 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -50.1 | -46.6 | -176 | -176.1 | -99.7 | 0 | 0 | 0 | 115.2 | I685 D686 Q692 Q693 R698 Q701 I702 | I685-W690 HydrophobicContact CD1-CH2 4.32Å; I685-W690 HydrophobicContact CD1-CZ3 4.19Å; I685-W690 HydrophobicContact CG1-CZ3 4.3Å; I685-W690 HydrophobicContact CG2-CB 4.38Å; I685-W690 HydrophobicContact CG2-CD2 3.88Å; I685-W690 HydrophobicContact CG2-CE3 3.31Å; I685-W690 HydrophobicContact CG2-CG 4.37Å; I685-W690 HydrophobicContact CG2-CZ3 3.76Å; D686-W690 WeakPolarHBondContact O-CB 3.01Å; D686-W690 PolarHBondContact O-N 2.99Å; D686-W690 VanDerWaalsContact O-N 3.11Å; W690-Q692 PolarHBondContact O-N 3.16Å; W690-Q693 PolarHBondContact O-N 2.92Å; W690-R698 HydrophobicContact CD2-CG 4.03Å; W690-R698 HydrophobicContact CE3-CG 3.98Å; W690-R698 HydrophobicContact CH2-CB 3.51Å; W690-R698 HydrophobicContact CH2-CG 3.76Å; W690-R698 HydrophobicContact CZ2-CB 3.8Å; W690-R698 HydrophobicContact CZ2-CG 3.76Å; W690-R698 HydrophobicContact CZ3-CB 3.92Å; W690-R698 HydrophobicContact CZ3-CG 3.86Å; W690-R698 VanDerWaalsContact O-CZ 3.32Å; W690-R698 PolarHBondContact O-NE 2.76Å; W690-R698 PolarHBondContact O-NH2 3.25Å; W690-Q701 HydrophobicContact CZ3-CB 4.25Å; W690-I702 HydrophobicContact CH2-CD1 4.02Å; W690-I702 HydrophobicContact CH2-CG1 4.04Å |
| 691 | P | 80.4 | Confident | 80.1 | Confident | 92 Ų | 92 | 73.5 Ų | 73.5 | 60% | 0.597 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -64.9 | -26.9 | -179.1 | -20 | 34 | 0 | 0 | 0 | 113.2 | E688 S689 R698 | E688-P691 WeakPolarHBondContact O-CD 3.37Å; S689-P691 VanDerWaalsContact C-CD 3.47Å; P691-R698 VanDerWaalsContact C-NH2 3.29Å; P691-R698 PolarHBondContact O-NH2 2.93Å |
| 692 | Q | 83.2 | Confident | 80.1 | Confident | 172 Ų | 172 | 76.4 Ų | 76.4 | 80% | 0.804 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -87.6 | -14.2 | -176.7 | -56.8 | 179.9 | 7.3 | 0 | 0 | 112.9 | S689 W690 | S689-Q692 PolarHBondContact O-N 3.46Å; W690-Q692 PolarHBondContact O-N 3.16Å |
| 693 | Q | 82 | Confident | 79.9 | Confident | 33 Ų | 33 | 77.1 Ų | 77.1 | 15% | 0.154 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -77.5 | 149.9 | -178.7 | -70.9 | 178.5 | 28.4 | 0 | 0 | 113.2 | S689 W690 S697 R698 Q701 | S689-Q693 WeakPolarHBondContact O-CG 3.48Å; S689-Q693 PolarHBondContact O-N 3.23Å; S689-Q693 PolarHBondContact OG-NE2 3.37Å; W690-Q693 PolarHBondContact O-N 2.92Å; Q693-S697 PolarHBondContact OE1-OG 2.82Å; Q693-R698 HydrophobicContact CB-CG 4.22Å; Q693-R698 PolarHBondContact O-NE 3.46Å; Q693-R698 PolarHBondContact O-NH2 3.47Å; Q693-Q701 VanDerWaalsContact CD-NE2 3.35Å |
| 694 | S | 88.1 | Confident | 79.9 | Confident | 71 Ų | 71 | 76.8 Ų | 76.8 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | trans | -65.3 | 153.9 | 172.1 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | F696 S697 R698 | S694-F696 PolarHBondContact O-N 3.03Å; S694-S697 WeakPolarHBondContact O-CB 3.42Å; S694-S697 PolarHBondContact O-N 3.49Å; S694-S697 WeakPolarHBondContact OG-CB 3.49Å; S694-S697 PolarHBondContact OG-N 3.31Å; S694-R698 PolarHBondContact O-N 2.72Å | ||
| 695 | V | 84.8 | Confident | 80.1 | Confident | 118 Ų | 118 | 76.5 Ų | 76.5 | 72% | 0.715 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -55.3 | -38.6 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | R698 F699 | V695-R698 PolarHBondContact O-N 2.91Å; V695-F699 PolarHBondContact O-N 3.45Å |
| 696 | F | 83.5 | Confident | 80.5 | Confident | 145 Ų | 145 | 75.3 Ų | 75.3 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 176.6 | -178.5 | -106.2 | 0 | 0 | 0 | 112.7 | S694 R698 F699 L700 | S694-F696 PolarHBondContact O-N 3.03Å; F696-R698 VanDerWaalsContact C-N 3.35Å; F696-R698 PolarHBondContact O-N 3.26Å; F696-F699 PolarHBondContact O-N 2.89Å; F696-L700 HydrophobicContact CD1-CD1 3.99Å; F696-L700 HydrophobicContact CE1-CD1 3.4Å; F696-L700 HydrophobicContact CE1-CG 4.17Å; F696-L700 HydrophobicContact CE2-CD1 4.49Å; F696-L700 HydrophobicContact CE2-CG 4.47Å; F696-L700 HydrophobicContact CZ-CD1 3.7Å; F696-L700 HydrophobicContact CZ-CD2 4.37Å; F696-L700 HydrophobicContact CZ-CG 4.12Å; F696-L700 PolarHBondContact O-N 2.9Å |
| 697 | S | 83 | Confident | 81.2 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 25% | 0.252 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | Q693 S694 F699 L700 Q701 | Q693-S697 PolarHBondContact OE1-OG 2.82Å; S694-S697 WeakPolarHBondContact O-CB 3.42Å; S694-S697 PolarHBondContact O-N 3.49Å; S694-S697 WeakPolarHBondContact OG-CB 3.49Å; S694-S697 PolarHBondContact OG-N 3.31Å; S697-F699 VanDerWaalsContact C-N 3.35Å; S697-F699 PolarHBondContact O-N 3.37Å; S697-L700 PolarHBondContact O-N 2.84Å; S697-Q701 WeakPolarHBondContact O-CG 3.42Å; S697-Q701 PolarHBondContact O-N 2.79Å |
| 698 | R | 82.8 | Confident | 81.7 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 27% | 0.272 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 176.6 | -67 | -179.5 | -173.4 | 166.1 | 8.8 | 111.8 | W690 P691 Q693 S694 V695 F696 Q701 I702 | W690-R698 HydrophobicContact CD2-CG 4.03Å; W690-R698 HydrophobicContact CE3-CG 3.98Å; W690-R698 HydrophobicContact CH2-CB 3.51Å; W690-R698 HydrophobicContact CH2-CG 3.76Å; W690-R698 HydrophobicContact CZ2-CB 3.8Å; W690-R698 HydrophobicContact CZ2-CG 3.76Å; W690-R698 HydrophobicContact CZ3-CB 3.92Å; W690-R698 HydrophobicContact CZ3-CG 3.86Å; W690-R698 VanDerWaalsContact O-CZ 3.32Å; W690-R698 PolarHBondContact O-NE 2.76Å; W690-R698 PolarHBondContact O-NH2 3.25Å; P691-R698 VanDerWaalsContact C-NH2 3.29Å; P691-R698 PolarHBondContact O-NH2 2.93Å; Q693-R698 HydrophobicContact CB-CG 4.22Å; Q693-R698 PolarHBondContact O-NE 3.46Å; Q693-R698 PolarHBondContact O-NH2 3.47Å; S694-R698 PolarHBondContact O-N 2.72Å; V695-R698 PolarHBondContact O-N 2.91Å; F696-R698 VanDerWaalsContact C-N 3.35Å; F696-R698 PolarHBondContact O-N 3.26Å; R698-Q701 PolarHBondContact O-N 3.34Å; R698-I702 WeakPolarHBondContact O-CD1 3.5Å; R698-I702 VanDerWaalsContact O-CG1 3.29Å; R698-I702 WeakPolarHBondContact O-CG1 3.1Å; R698-I702 PolarHBondContact O-N 3.45Å |
| 699 | F | 81.6 | Confident | 82.5 | Confident | 122 Ų | 122 | 67.4 Ų | 67.4 | 54% | 0.535 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 176.2 | 177.1 | -99.5 | 0 | 0 | 0 | 112.1 | V695 F696 S697 Q701 I702 L703 | V695-F699 PolarHBondContact O-N 3.45Å; F696-F699 PolarHBondContact O-N 2.89Å; S697-F699 VanDerWaalsContact C-N 3.35Å; S697-F699 PolarHBondContact O-N 3.37Å; F699-Q701 PolarHBondContact O-N 3.28Å; F699-I702 PolarHBondContact O-N 3.33Å; F699-L703 WeakPolarHBondContact O-CB 3.42Å; F699-L703 PolarHBondContact O-N 3.05Å |
| 700 | L | 80.5 | Confident | 83.1 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 177.2 | -72.7 | 179.5 | 0 | 0 | 0 | 112.7 | F696 S697 L703 Q704 | F696-L700 HydrophobicContact CD1-CD1 3.99Å; F696-L700 HydrophobicContact CE1-CD1 3.4Å; F696-L700 HydrophobicContact CE1-CG 4.17Å; F696-L700 HydrophobicContact CE2-CD1 4.49Å; F696-L700 HydrophobicContact CE2-CG 4.47Å; F696-L700 HydrophobicContact CZ-CD1 3.7Å; F696-L700 HydrophobicContact CZ-CD2 4.37Å; F696-L700 HydrophobicContact CZ-CG 4.12Å; F696-L700 PolarHBondContact O-N 2.9Å; S697-L700 PolarHBondContact O-N 2.84Å; L700-L703 PolarHBondContact O-N 3.5Å; L700-Q704 WeakPolarHBondContact O-CB 3.43Å; L700-Q704 WeakPolarHBondContact O-CG 3.08Å; L700-Q704 PolarHBondContact O-N 3.14Å |
| 701 | Q | 79.5 | Confident | 83.7 | Confident | 52 Ų | 52 | 65.4 Ų | 65.4 | 24% | 0.243 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 176 | -75.6 | -178.1 | 5.8 | 0 | 0 | 112 | W690 Q693 S697 R698 F699 L703 Q704 T705 | W690-Q701 HydrophobicContact CZ3-CB 4.25Å; Q693-Q701 VanDerWaalsContact CD-NE2 3.35Å; S697-Q701 WeakPolarHBondContact O-CG 3.42Å; S697-Q701 PolarHBondContact O-N 2.79Å; R698-Q701 PolarHBondContact O-N 3.34Å; F699-Q701 PolarHBondContact O-N 3.28Å; Q701-L703 VanDerWaalsContact C-N 3.3Å; Q701-L703 PolarHBondContact O-N 2.99Å; Q701-Q704 PolarHBondContact O-N 3.25Å; Q701-T705 WeakPolarHBondContact O-CB 3.32Å; Q701-T705 PolarHBondContact O-N 3.47Å; Q701-T705 PolarHBondContact O-OG1 2.84Å |
| 702 | I | 81.7 | Confident | 84.2 | Confident | 79 Ų | 79 | 62 Ų | 62 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 174.4 | -68.3 | 162.8 | 0 | 0 | 0 | 110.4 | W690 R698 F699 Q704 T705 | W690-I702 HydrophobicContact CH2-CD1 4.02Å; W690-I702 HydrophobicContact CH2-CG1 4.04Å; R698-I702 WeakPolarHBondContact O-CD1 3.5Å; R698-I702 VanDerWaalsContact O-CG1 3.29Å; R698-I702 WeakPolarHBondContact O-CG1 3.1Å; R698-I702 PolarHBondContact O-N 3.45Å; F699-I702 PolarHBondContact O-N 3.33Å; I702-Q704 VanDerWaalsContact C-N 3.35Å; I702-Q704 PolarHBondContact O-N 2.94Å; I702-T705 WeakPolarHBondContact O-CB 3.17Å; I702-T705 PolarHBondContact O-N 3.47Å |
| 703 | L | 78.7 | Confident | 84.6 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 179.6 | -174.2 | 64.8 | 0 | 0 | 0 | 112.6 | F110 L114 F699 L700 Q701 P706 | F110-L703 HydrophobicContact CE2-CD2 4.19Å; F110-L703 HydrophobicContact CZ-CD1 3.87Å; F110-L703 HydrophobicContact CZ-CD2 4.25Å; L114-L703 HydrophobicContact CD2-CD1 3.81Å; L114-L703 HydrophobicContact CD2-CD2 3.61Å; L114-L703 HydrophobicContact CD2-CG 3.43Å; L114-L703 VanDerWaalsContact CD2-CG 3.43Å; F699-L703 WeakPolarHBondContact O-CB 3.42Å; F699-L703 PolarHBondContact O-N 3.05Å; L700-L703 PolarHBondContact O-N 3.5Å; Q701-L703 VanDerWaalsContact C-N 3.3Å; Q701-L703 PolarHBondContact O-N 2.99Å; L703-P706 WeakPolarHBondContact O-CD 3.45Å |
| 704 | Q | 82.3 | Confident | 85 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -84.9 | -14.8 | 179.7 | -69.4 | 175.2 | -2 | 0 | 0 | 113.7 | G117 T121 L700 Q701 I702 P706 I707 F708 | G117-Q704 VanDerWaalsContact CA-NE2 3.34Å; T121-Q704 HydrophobicContact CG2-CB 4.42Å; L700-Q704 WeakPolarHBondContact O-CB 3.43Å; L700-Q704 WeakPolarHBondContact O-CG 3.08Å; L700-Q704 PolarHBondContact O-N 3.14Å; Q701-Q704 PolarHBondContact O-N 3.25Å; I702-Q704 VanDerWaalsContact C-N 3.35Å; I702-Q704 PolarHBondContact O-N 2.94Å; Q704-P706 VanDerWaalsContact C-CD 3.47Å; Q704-I707 WeakPolarHBondContact O-CB 3.31Å; Q704-I707 PolarHBondContact O-N 3.42Å; Q704-F708 PolarHBondContact O-N 3.07Å |
| 705 | T | 82.4 | Confident | 85.3 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -49.7 | -46.2 | -178.1 | -74.1 | 0 | 0 | 0 | 0 | 113.6 | P684 Q701 I702 I707 F708 L709 | P684-T705 HydrophobicContact CB-CG2 4.32Å; P684-T705 HydrophobicContact CG-CG2 3.48Å; P684-T705 VanDerWaalsContact CG-CG2 3.48Å; Q701-T705 WeakPolarHBondContact O-CB 3.32Å; Q701-T705 PolarHBondContact O-N 3.47Å; Q701-T705 PolarHBondContact O-OG1 2.84Å; I702-T705 WeakPolarHBondContact O-CB 3.17Å; I702-T705 PolarHBondContact O-N 3.47Å; T705-I707 VanDerWaalsContact C-N 3.33Å; T705-I707 PolarHBondContact O-N 2.93Å; T705-F708 PolarHBondContact O-N 3.32Å; T705-L709 WeakPolarHBondContact O-CB 3.33Å; T705-L709 PolarHBondContact O-N 3.02Å |
| 706 | P | 82.7 | Confident | 85.7 | Confident | 27 Ų | 27 | 45.7 Ų | 45.7 | 18% | 0.175 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 177.7 | -22.9 | 34 | 0 | 0 | 0 | 112.9 | I18 L20 L703 Q704 L709 V710 | I18-P706 HydrophobicContact CD1-CB 3.77Å; I18-P706 HydrophobicContact CD1-CG 4.07Å; I18-P706 HydrophobicContact CG1-CB 4.37Å; L20-P706 HydrophobicContact CD1-CB 4.33Å; L20-P706 HydrophobicContact CD1-CG 4.11Å; L20-P706 HydrophobicContact CD2-CB 4.23Å; L703-P706 WeakPolarHBondContact O-CD 3.45Å; Q704-P706 VanDerWaalsContact C-CD 3.47Å; P706-L709 PolarHBondContact O-N 3.31Å; P706-V710 WeakPolarHBondContact O-CG2 3.39Å; P706-V710 PolarHBondContact O-N 3.13Å |
| 707 | I | 86.3 | Confident | 85.9 | Confident | 36 Ų | 36 | 39.1 Ų | 39.1 | 19% | 0.185 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.6 | -44.6 | -180 | -66.3 | 161.1 | 0 | 0 | 0 | 110 | L114 A118 Q704 T705 L709 V710 F711 | L114-I707 HydrophobicContact CD2-CD1 4.43Å; A118-I707 HydrophobicContact CB-CD1 4.22Å; A118-I707 HydrophobicContact CB-CG2 3.63Å; Q704-I707 WeakPolarHBondContact O-CB 3.31Å; Q704-I707 PolarHBondContact O-N 3.42Å; T705-I707 VanDerWaalsContact C-N 3.33Å; T705-I707 PolarHBondContact O-N 2.93Å; I707-L709 VanDerWaalsContact C-N 3.28Å; I707-L709 PolarHBondContact O-N 2.89Å; I707-V710 PolarHBondContact O-N 3.43Å; I707-F711 HydrophobicContact CG2-CD2 3.86Å; I707-F711 HydrophobicContact CG2-CE1 4.39Å; I707-F711 HydrophobicContact CG2-CE2 3.28Å; I707-F711 HydrophobicContact CG2-CZ 3.59Å; I707-F711 WeakPolarHBondContact O-CG 3.38Å; I707-F711 PolarHBondContact O-N 2.96Å |
| 708 | F | 86.7 | Confident | 86.2 | Confident | 36 Ų | 36 | 37.4 Ų | 37.4 | 16% | 0.158 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.4 | -43.1 | 175.1 | -176.1 | -84.7 | 0 | 0 | 0 | 111.3 | F126 P684 Q704 T705 F711 R712 | F126-F708 AromaticContact CE2-CD2 3.91Å; F126-F708 HydrophobicContact CE2-CD2 3.91Å; F126-F708 AromaticContact CE2-CE2 3.87Å; F126-F708 HydrophobicContact CE2-CE2 3.87Å; F126-F708 HydrophobicContact CZ-CD2 4.2Å; F126-F708 AromaticContact CZ-CE2 3.98Å; F126-F708 HydrophobicContact CZ-CE2 3.98Å; F126-F708 HydrophobicContact CZ-CZ 4.19Å; P684-F708 HydrophobicContact CB-CB 4.29Å; P684-F708 HydrophobicContact CB-CD1 3.47Å; P684-F708 VanDerWaalsContact CB-CD1 3.47Å; P684-F708 HydrophobicContact CB-CE1 3.98Å; P684-F708 HydrophobicContact CB-CG 4.01Å; Q704-F708 PolarHBondContact O-N 3.07Å; T705-F708 PolarHBondContact O-N 3.32Å; F708-F711 PolarHBondContact O-N 3.22Å; F708-R712 HydrophobicContact CE1-CB 4.45Å; F708-R712 WeakPolarHBondContact O-CB 3.25Å; F708-R712 PolarHBondContact O-N 3.4Å |
| 709 | L | 87.3 | Confident | 86.3 | Confident | 50 Ų | 50 | 37.8 Ų | 37.8 | 26% | 0.262 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 177.8 | -172.9 | 149.4 | 0 | 0 | 0 | 111.6 | M682 T705 P706 I707 R712 L713 | M682-L709 HydrophobicContact CE-CD1 3.84Å; M682-L709 HydrophobicContact CE-CD2 4.05Å; M682-L709 HydrophobicContact CE-CG 3.58Å; T705-L709 WeakPolarHBondContact O-CB 3.33Å; T705-L709 PolarHBondContact O-N 3.02Å; P706-L709 PolarHBondContact O-N 3.31Å; I707-L709 VanDerWaalsContact C-N 3.28Å; I707-L709 PolarHBondContact O-N 2.89Å; L709-R712 PolarHBondContact O-N 2.81Å; L709-L713 HydrophobicContact CD2-CD1 3.53Å; L709-L713 HydrophobicContact CD2-CG 4.16Å; L709-L713 WeakPolarHBondContact O-CG 3.44Å; L709-L713 PolarHBondContact O-N 3.29Å |
| 710 | V | 88.7 | Confident | 86.4 | Confident | 54 Ų | 54 | 32.8 Ų | 32.8 | 33% | 0.327 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.1 | -47 | 173.8 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | P706 I707 R712 L713 T714 W875 | P706-V710 WeakPolarHBondContact O-CG2 3.39Å; P706-V710 PolarHBondContact O-N 3.13Å; I707-V710 PolarHBondContact O-N 3.43Å; V710-R712 PolarHBondContact O-N 3.37Å; V710-L713 PolarHBondContact O-N 2.99Å; V710-T714 HydrophobicContact CG1-CG2 4.34Å; V710-T714 WeakPolarHBondContact O-CB 3.29Å; V710-T714 WeakPolarHBondContact O-CG2 3.41Å; V710-T714 PolarHBondContact O-N 3.37Å; V710-T714 PolarHBondContact O-OG1 3.22Å; V710-W875 HydrophobicContact CG1-CH2 4.08Å; V710-W875 HydrophobicContact CG1-CZ2 4.04Å |
| 711 | F | 92.5 | Very high | 85.8 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | 176.4 | -64.9 | -24.5 | 0 | 0 | 0 | 112.3 | A118 I122 F126 I707 F708 L713 T714 I715 W875 L879 | A118-F711 HydrophobicContact CB-CE2 4.2Å; A118-F711 HydrophobicContact CB-CZ 4.11Å; A118-F711 WeakPolarHBondContact O-CE2 3.36Å; I122-F711 HydrophobicContact CB-CD2 4.13Å; I122-F711 HydrophobicContact CB-CE2 3.87Å; I122-F711 HydrophobicContact CB-CZ 4.38Å; I122-F711 HydrophobicContact CD1-CE1 4.46Å; I122-F711 HydrophobicContact CD1-CZ 4.49Å; F126-F711 HydrophobicContact CD1-CB 4.44Å; F126-F711 HydrophobicContact CD2-CB 4Å; F126-F711 HydrophobicContact CD2-CD2 4.45Å; F126-F711 HydrophobicContact CE1-CB 4.07Å; F126-F711 HydrophobicContact CE2-CB 3.57Å; F126-F711 HydrophobicContact CE2-CD2 4.29Å; F126-F711 HydrophobicContact CE2-CG 4.44Å; F126-F711 HydrophobicContact CG-CB 4.42Å; F126-F711 HydrophobicContact CZ-CB 3.62Å; I707-F711 HydrophobicContact CG2-CD2 3.86Å; I707-F711 HydrophobicContact CG2-CE1 4.39Å; I707-F711 HydrophobicContact CG2-CE2 3.28Å; I707-F711 HydrophobicContact CG2-CZ 3.59Å; I707-F711 WeakPolarHBondContact O-CG 3.38Å; I707-F711 PolarHBondContact O-N 2.96Å; F708-F711 PolarHBondContact O-N 3.22Å; F711-L713 VanDerWaalsContact C-N 3.33Å; F711-L713 PolarHBondContact O-N 3.46Å; F711-T714 PolarHBondContact O-N 3.01Å; F711-T714 VanDerWaalsContact O-N 3.17Å; F711-I715 HydrophobicContact CB-CD1 4.06Å; F711-I715 HydrophobicContact CD1-CD1 4.24Å; F711-I715 HydrophobicContact CG-CD1 4.26Å; F711-I715 WeakPolarHBondContact O-CA 3.47Å; F711-I715 VanDerWaalsContact O-CB 3.27Å; F711-I715 WeakPolarHBondContact O-CB 3.49Å; F711-I715 PolarHBondContact O-N 3.34Å; F711-W875 HydrophobicContact CD1-CD2 4.23Å; F711-W875 AromaticContact CE1-CD2 3.84Å; F711-W875 HydrophobicContact CE1-CD2 3.84Å; F711-W875 AromaticContact CE1-CE3 3.78Å; F711-W875 HydrophobicContact CE1-CE3 3.78Å; F711-W875 HydrophobicContact CE1-CG 4.31Å; F711-W875 HydrophobicContact CE1-CH2 4.46Å; F711-W875 HydrophobicContact CE1-CZ3 4.1Å; F711-L879 HydrophobicContact CZ-CD1 3.94Å |
| 712 | R | 90.3 | Very high | 84.9 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -40.2 | 175.6 | -163.1 | 72.8 | -177.5 | 151.3 | 11.9 | 112.4 | F126 Y681 M682 F708 L709 V710 T714 T717 Q800 | F126-R712 HydrophobicContact CE1-CB 4.38Å; F126-R712 HydrophobicContact CZ-CB 4.25Å; Y681-R712 PolarHBondContact O-NE 2.83Å; M682-R712 HydrophobicContact SD-CG 4.14Å; F708-R712 HydrophobicContact CE1-CB 4.45Å; F708-R712 WeakPolarHBondContact O-CB 3.25Å; F708-R712 PolarHBondContact O-N 3.4Å; L709-R712 PolarHBondContact O-N 2.81Å; V710-R712 PolarHBondContact O-N 3.37Å; R712-T714 VanDerWaalsContact C-N 3.34Å; R712-T717 PolarHBondContact NH1-OG1 3.45Å; R712-Q800 PolarHBondContact O-NE2 2.98Å |
| 713 | L | 91.5 | Very high | 83.7 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.4 | -24.7 | 176.4 | -72.1 | 178.6 | 0 | 0 | 0 | 113.6 | M682 L709 V710 F711 L796 F799 Q800 | M682-L713 HydrophobicContact CE-CD1 4.25Å; M682-L713 HydrophobicContact CE-CD2 3.63Å; M682-L713 HydrophobicContact CE-CG 3.81Å; M682-L713 HydrophobicContact SD-CD2 3.88Å; M682-L713 HydrophobicContact SD-CG 4.39Å; L709-L713 HydrophobicContact CD2-CD1 3.53Å; L709-L713 HydrophobicContact CD2-CG 4.16Å; L709-L713 WeakPolarHBondContact O-CG 3.44Å; L709-L713 PolarHBondContact O-N 3.29Å; V710-L713 PolarHBondContact O-N 2.99Å; F711-L713 VanDerWaalsContact C-N 3.33Å; F711-L713 PolarHBondContact O-N 3.46Å; L713-L796 HydrophobicContact CD2-CD1 3.92Å; L713-F799 HydrophobicContact CB-CE1 4.42Å; L713-F799 HydrophobicContact CD2-CD1 4.38Å; L713-F799 HydrophobicContact CD2-CE1 4.27Å; L713-Q800 VanDerWaalsContact O-CG 3.27Å; L713-Q800 WeakPolarHBondContact O-CG 3.47Å |
| 714 | T | 90.7 | Very high | 82.2 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.055 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -110.2 | -11.8 | -171.4 | 61.2 | 0 | 0 | 0 | 0 | 114.5 | V710 F711 R712 L803 V804 L807 W875 | V710-T714 HydrophobicContact CG1-CG2 4.34Å; V710-T714 WeakPolarHBondContact O-CB 3.29Å; V710-T714 WeakPolarHBondContact O-CG2 3.41Å; V710-T714 PolarHBondContact O-N 3.37Å; V710-T714 PolarHBondContact O-OG1 3.22Å; F711-T714 PolarHBondContact O-N 3.01Å; F711-T714 VanDerWaalsContact O-N 3.17Å; R712-T714 VanDerWaalsContact C-N 3.34Å; T714-L803 HydrophobicContact CG2-CD2 3.83Å; T714-V804 WeakPolarHBondContact O-CG2 3.24Å; T714-L807 HydrophobicContact CG2-CD1 3.37Å; T714-W875 HydrophobicContact CG2-CZ2 4.32Å; T714-W875 PolarHBondContact OG1-NE1 3.33Å; T714-W875 VanDerWaalsContact OG1-NE1 3.15Å |
| 715 | I | 93.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -125 | 109.5 | -177 | -55.7 | 176.5 | 0 | 0 | 0 | 109.1 | I122 F126 F711 T717 Q800 W875 | I122-I715 HydrophobicContact CD1-CD1 3.72Å; I122-I715 HydrophobicContact CG1-CD1 3.99Å; F126-I715 HydrophobicContact CB-CD1 4.14Å; F126-I715 HydrophobicContact CB-CG2 4.11Å; F126-I715 HydrophobicContact CD1-CB 3.86Å; F126-I715 HydrophobicContact CD1-CD1 4.33Å; F126-I715 HydrophobicContact CD1-CG2 3.96Å; F126-I715 HydrophobicContact CE1-CB 4.5Å; F126-I715 HydrophobicContact CG-CD1 4.22Å; F126-I715 HydrophobicContact CG-CG2 4.44Å; F711-I715 HydrophobicContact CB-CD1 4.06Å; F711-I715 HydrophobicContact CD1-CD1 4.24Å; F711-I715 HydrophobicContact CG-CD1 4.26Å; F711-I715 WeakPolarHBondContact O-CA 3.47Å; F711-I715 VanDerWaalsContact O-CB 3.27Å; F711-I715 WeakPolarHBondContact O-CB 3.49Å; F711-I715 PolarHBondContact O-N 3.34Å; I715-T717 HydrophobicContact CG2-CG2 4.48Å; I715-T717 PolarHBondContact O-N 3.5Å; I715-Q800 PolarHBondContact O-NE2 2.89Å; I715-W875 HydrophobicContact CD1-CG 4.41Å |
| 716 | P | 92.9 | Very high | 78.4 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | trans | -62.8 | 129.5 | 169.5 | -17.3 | 28.6 | 0 | 0 | 0 | 110.6 | Q800 V804 F864 L867 G868 | P716-Q800 VanDerWaalsContact CA-OE1 3.22Å; P716-Q800 HydrophobicContact CG-CB 4.03Å; P716-Q800 HydrophobicContact CG-CG 4.42Å; P716-V804 HydrophobicContact CG-CG2 4.2Å; P716-F864 HydrophobicContact CB-CB 4.38Å; P716-F864 HydrophobicContact CB-CD1 3.88Å; P716-F864 HydrophobicContact CG-CD1 4.42Å; P716-L867 HydrophobicContact CG-CB 4.19Å; P716-G868 WeakPolarHBondContact O-CA 3.47Å | ||
| 717 | T | 89.1 | Confident | 76.4 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | trans | -120.2 | 131.6 | 176.7 | 62 | 0 | 0 | 0 | 0 | 109.9 | F126 R712 I715 | F126-T717 HydrophobicContact CD1-CG2 3.38Å; F126-T717 HydrophobicContact CE1-CG2 3.94Å; F126-T717 HydrophobicContact CG-CG2 4.31Å; R712-T717 PolarHBondContact NH1-OG1 3.45Å; I715-T717 HydrophobicContact CG2-CG2 4.48Å; I715-T717 PolarHBondContact O-N 3.5Å | ||
| 718 | V | 88.7 | Confident | 73.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -107.6 | 122 | 168.1 | -174.3 | 0 | 0 | 0 | 0 | 107.4 | T129 A133 E720 H790 F864 A865 | T129-V718 WeakPolarHBondContact CG2-O 3.46Å; A133-V718 HydrophobicContact CB-CB 3.92Å; A133-V718 HydrophobicContact CB-CG1 4.35Å; A133-V718 WeakPolarHBondContact CB-O 3.16Å; V718-E720 WeakPolarHBondContact CG1-OE2 3.47Å; V718-H790 WeakPolarHBondContact CA-O 3.31Å; V718-H790 HydrophobicContact CG1-CB 4.15Å; V718-F864 HydrophobicContact CG2-CB 3.59Å; V718-A865 HydrophobicContact CG2-CB 4.35Å | ||
| 719 | I | 85.7 | Confident | 70.8 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 42% | 0.415 | 29% | 0.292 | S | S | . | . | trans | -89.9 | 120.7 | -175.9 | -56.9 | 169 | 0 | 0 | 0 | 108.6 | T129 H790 | T129-I719 HydrophobicContact CG2-CG1 4.33Å; I719-H790 PolarHBondContact N-O 2.87Å; I719-H790 PolarHBondContact O-ND1 3.08Å | ||
| 720 | E | 82 | Confident | 67.9 | Low | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | trans | -139.6 | 114.9 | -178.8 | -111.3 | 112.3 | -163.7 | 0 | 0 | 109.9 | I132 A133 R136 V718 L722 H790 R861 | I132-E720 HydrophobicContact CG2-CB 4.48Å; I132-E720 WeakPolarHBondContact CG2-O 3.34Å; A133-E720 VanDerWaalsContact CA-OE2 3.25Å; A133-E720 WeakPolarHBondContact CA-OE2 3.03Å; A133-E720 HydrophobicContact CB-CB 4.41Å; A133-E720 WeakPolarHBondContact CB-OE2 3.25Å; R136-E720 VanDerWaalsContact NH1-CB 3.26Å; V718-E720 WeakPolarHBondContact CG1-OE2 3.47Å; E720-L722 PolarHBondContact O-N 3.19Å; E720-H790 IonicContact OE1-ND1 2.78Å; E720-R861 VanDerWaalsContact OE1-CD 3.24Å; E720-R861 WeakPolarHBondContact OE1-CD 3.22Å; E720-R861 WeakPolarHBondContact OE1-CG 3.44Å; E720-R861 IonicContact OE1-CZ 3.65Å; E720-R861 IonicContact OE1-NE 3.37Å; E720-R861 PolarHBondContact OE1-NE 3.13Å; E720-R861 VanDerWaalsContact OE1-NE 3.08Å | ||
| 721 | E | 68.5 | Low | 64.9 | Low | 157 Ų | 157 | 58.6 Ų | 58.6 | 73% | 0.734 | 31% | 0.313 | S | S | * | . | trans | -79.4 | 112.1 | 177.3 | -63.1 | -167.4 | 146.9 | 0 | 0 | 111.4 | R136 A723 | R136-E721 VanDerWaalsContact NH1-N 3.19Å; R136-E721 PolarHBondContact NH1-O 3.09Å; R136-E721 PolarHBondContact NH2-O 2.97Å; E721-A723 PolarHBondContact O-N 2.99Å | ||
| 722 | L | 61.5 | Low | 61.8 | Low | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | trans | -66.6 | 100.7 | -179.4 | -174.6 | 71.9 | 0 | 0 | 0 | 110.4 | I132 R136 Q142 E720 D724 Y926 I929 | I132-L722 HydrophobicContact CG2-CB 3.93Å; I132-L722 HydrophobicContact CG2-CD1 4.45Å; R136-L722 VanDerWaalsContact NH2-CA 3.34Å; Q142-L722 HydrophobicContact CG-CD2 3.95Å; E720-L722 PolarHBondContact O-N 3.19Å; L722-D724 PolarHBondContact O-N 3.33Å; L722-Y926 HydrophobicContact CB-CD1 4.35Å; L722-Y926 HydrophobicContact CB-CE1 3.44Å; L722-Y926 VanDerWaalsContact CB-CE1 3.44Å; L722-Y926 WeakPolarHBondContact CB-OH 3.35Å; L722-Y926 HydrophobicContact CD2-CD1 3.35Å; L722-Y926 HydrophobicContact CD2-CE1 3.31Å; L722-Y926 HydrophobicContact CD2-CG 4.23Å; L722-Y926 HydrophobicContact CG-CD1 4.33Å; L722-Y926 HydrophobicContact CG-CE1 3.8Å; L722-Y926 PolarHBondContact N-OH 3.22Å; L722-I929 HydrophobicContact CD2-CD1 3.76Å | ||
| 723 | A | 55.5 | Low | 58.7 | Low | 70 Ų | 70 | 65.7 Ų | 65.7 | 58% | 0.579 | 36% | 0.357 | S | S | * | . | trans | -52.1 | 117.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | R136 E721 D725 | R136-A723 VanDerWaalsContact NH2-N 3.1Å; E721-A723 PolarHBondContact O-N 2.99Å; A723-D725 PolarHBondContact O-N 3.26Å | ||
| 724 | D | 48.5 | Very low | 55.7 | Low | 66 Ų | 66 | 68.5 Ų | 68.5 | 35% | 0.353 | 37% | 0.369 | S | S | . | . | trans | -60.2 | 135.5 | 177.7 | -153.1 | 5.3 | 0 | 0 | 0 | 105.9 | Q142 L722 T726 R928 | Q142-D724 PolarHBondContact NE2-OD1 2.9Å; L722-D724 PolarHBondContact O-N 3.33Å; D724-T726 HydrophobicContact CB-CG2 3.91Å; D724-T726 PolarHBondContact O-N 3.4Å; D724-T726 PolarHBondContact O-OG1 3.03Å; D724-T726 VanDerWaalsContact OD2-CG2 3.27Å; D724-T726 WeakPolarHBondContact OD2-CG2 3.44Å; D724-R928 IonicContact OD1-CZ 3.44Å; D724-R928 IonicContact OD1-NH2 3.97Å; D724-R928 PolarHBondContact OD1-NH2 3.49Å; D724-R928 IonicContact OD2-NH2 3Å; D724-R928 PolarHBondContact OD2-NH2 3.48Å | ||
| 725 | D | 45.8 | Very low | 52.7 | Low | 90 Ų | 90 | 71.1 Ų | 71.1 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | trans | -65.5 | 30.5 | 168.6 | -81.1 | -15.5 | 0 | 0 | 0 | 110.1 | R264 A723 E727 | R264-D725 IonicContact NH1-OD2 3.29Å; R264-D725 PolarHBondContact NH1-OD2 2.85Å; A723-D725 PolarHBondContact O-N 3.26Å; D725-E727 PolarHBondContact O-N 2.94Å; D725-E727 VanDerWaalsContact O-N 3.14Å | ||
| 726 | T | 39.1 | Very low | 49.6 | Very low | 59 Ų | 59 | 75.7 Ų | 75.7 | 36% | 0.362 | 41% | 0.412 | S | S | . | . | trans | -62.4 | 113.3 | 177.8 | 30.8 | 0 | 0 | 0 | 0 | 109.1 | D724 T728 | D724-T726 HydrophobicContact CB-CG2 3.91Å; D724-T726 PolarHBondContact O-N 3.4Å; D724-T726 PolarHBondContact O-OG1 3.03Å; D724-T726 VanDerWaalsContact OD2-CG2 3.27Å; D724-T726 WeakPolarHBondContact OD2-CG2 3.44Å; T726-T728 WeakPolarHBondContact CB-OG1 3.27Å; T726-T728 PolarHBondContact O-N 3.18Å; T726-T728 PolarHBondContact O-OG1 3.37Å; T726-T728 PolarHBondContact OG1-OG1 2.92Å | ||
| 727 | E | 39.4 | Very low | 46.5 | Very low | 136 Ų | 136 | 80 Ų | 80 | 64% | 0.636 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | 16.4 | -8 | 112.1 | -66.4 | -179.9 | 166.2 | 0 | 0 | 119.9 | D725 F731 | D725-E727 PolarHBondContact O-N 2.94Å; D725-E727 VanDerWaalsContact O-N 3.14Å; E727-F731 PolarHBondContact O-N 3.09Å | |
| 728 | T | 29 | Very low | 43.6 | Very low | 98 Ų | 98 | 86.5 Ų | 86.5 | 60% | 0.601 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -79 | -30.1 | 172.1 | 25.2 | 0 | 0 | 0 | 0 | 113.4 | T726 G730 A732 | T726-T728 WeakPolarHBondContact CB-OG1 3.27Å; T726-T728 PolarHBondContact O-N 3.18Å; T726-T728 PolarHBondContact O-OG1 3.37Å; T726-T728 PolarHBondContact OG1-OG1 2.92Å; T728-G730 VanDerWaalsContact C-N 3.29Å; T728-A732 PolarHBondContact O-N 2.86Å |
| 729 | Q | 26.8 | Very low | 40.9 | Very low | 156 Ų | 156 | 93.7 Ų | 93.7 | 73% | 0.729 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -75.1 | -22.1 | 168.6 | -72.9 | -169 | -11.1 | 0 | 0 | 112.5 | Q733 | Q729-Q733 PolarHBondContact O-N 3.32Å |
| 730 | G | 26.4 | Very low | 38.1 | Very low | 37 Ų | 37 | 98.7 Ų | 98.7 | 38% | 0.381 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -48.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | T728 Q733 E734 | T728-G730 VanDerWaalsContact C-N 3.29Å; G730-Q733 PolarHBondContact O-N 3.5Å; G730-E734 WeakPolarHBondContact O-CB 3.42Å; G730-E734 PolarHBondContact O-N 3.45Å |
| 731 | F | 26 | Very low | 35.6 | Very low | 151 Ų | 151 | 103.7 Ų | 103.7 | 66% | 0.662 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -76 | -26 | -177.2 | -89.5 | -85 | 0 | 0 | 0 | 114.8 | E727 S735 | E727-F731 PolarHBondContact O-N 3.09Å; F731-S735 PolarHBondContact O-N 3.2Å; F731-S735 PolarHBondContact O-OG 3.34Å |
| 732 | A | 27.6 | Very low | 33.6 | Very low | 55 Ų | 55 | 102.9 Ų | 102.9 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -76.2 | -24.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | T728 S735 N736 | T728-A732 PolarHBondContact O-N 2.86Å; A732-S735 PolarHBondContact O-OG 3.02Å; A732-N736 PolarHBondContact O-ND2 2.83Å |
| 733 | Q | 24.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 109.7 Ų | 109.7 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -88.2 | -31.3 | 171.1 | -103.9 | 162.5 | -24.8 | 0 | 0 | 112.6 | Q729 G730 N736 I737 | Q729-Q733 PolarHBondContact O-N 3.32Å; G730-Q733 PolarHBondContact O-N 3.5Å; Q733-N736 PolarHBondContact O-N 3.45Å; Q733-I737 HydrophobicContact CB-CD1 4.23Å; Q733-I737 WeakPolarHBondContact O-CB 3.32Å; Q733-I737 WeakPolarHBondContact O-CD1 3.45Å; Q733-I737 WeakPolarHBondContact O-CG1 3.41Å; Q733-I737 PolarHBondContact O-N 3.46Å |
| 734 | E | 27.4 | Very low | 30.5 | Very low | 101 Ų | 101 | 112.3 Ų | 112.3 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.1 | -36.5 | 175.7 | -121.2 | 159.8 | 178.7 | 0 | 0 | 111.8 | G730 I737 E738 | G730-E734 WeakPolarHBondContact O-CB 3.42Å; G730-E734 PolarHBondContact O-N 3.45Å; E734-I737 PolarHBondContact O-N 2.94Å; E734-E738 WeakPolarHBondContact O-CB 3.22Å; E734-E738 PolarHBondContact O-N 3.36Å |
| 735 | S | 29.3 | Very low | 29.3 | Very low | 64 Ų | 64 | 114.8 Ų | 114.8 | 45% | 0.448 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.1 | -37.1 | 172.8 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | F731 A732 Q739 | F731-S735 PolarHBondContact O-N 3.2Å; F731-S735 PolarHBondContact O-OG 3.34Å; A732-S735 PolarHBondContact O-OG 3.02Å; S735-Q739 PolarHBondContact O-N 3.42Å |
| 736 | N | 27 | Very low | 28.2 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 51% | 0.513 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -75.9 | -31.3 | 176.7 | -78.5 | -32.4 | 0 | 0 | 0 | 113 | A732 Q733 K740 | A732-N736 PolarHBondContact O-ND2 2.83Å; Q733-N736 PolarHBondContact O-N 3.45Å; N736-K740 WeakPolarHBondContact O-CB 3.41Å; N736-K740 PolarHBondContact O-N 3Å |
| 737 | I | 29 | Very low | 27.2 | Very low | 91 Ų | 91 | 128 Ų | 128 | 47% | 0.467 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -76.7 | -36.6 | 177.2 | -69.3 | 165.5 | 0 | 0 | 0 | 110.4 | Q733 E734 Q739 K740 I741 | Q733-I737 HydrophobicContact CB-CD1 4.23Å; Q733-I737 WeakPolarHBondContact O-CB 3.32Å; Q733-I737 WeakPolarHBondContact O-CD1 3.45Å; Q733-I737 WeakPolarHBondContact O-CG1 3.41Å; Q733-I737 PolarHBondContact O-N 3.46Å; E734-I737 PolarHBondContact O-N 2.94Å; I737-Q739 VanDerWaalsContact C-N 3.3Å; I737-Q739 PolarHBondContact O-N 3.37Å; I737-K740 PolarHBondContact O-N 3.46Å; I737-I741 HydrophobicContact CG2-CD1 3.58Å; I737-I741 HydrophobicContact CG2-CG1 4.32Å; I737-I741 WeakPolarHBondContact O-CD1 3.2Å; I737-I741 VanDerWaalsContact O-CG1 3.23Å; I737-I741 WeakPolarHBondContact O-CG1 3.44Å; I737-I741 PolarHBondContact O-N 3.29Å |
| 738 | E | 28.7 | Very low | 26.5 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -68.7 | -26.9 | 172.2 | -87 | -179.8 | 143 | 0 | 0 | 113.1 | E734 | E734-E738 WeakPolarHBondContact O-CB 3.22Å; E734-E738 PolarHBondContact O-N 3.36Å |
| 739 | Q | 30.4 | Very low | 26.1 | Very low | 152 Ų | 152 | 129 Ų | 129 | 71% | 0.71 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76.8 | -33.1 | 170.3 | -81.3 | -177.2 | -31.8 | 0 | 0 | 113.1 | S735 I737 | S735-Q739 PolarHBondContact O-N 3.42Å; I737-Q739 VanDerWaalsContact C-N 3.3Å; I737-Q739 PolarHBondContact O-N 3.37Å |
| 740 | K | 26.7 | Very low | 25.7 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 81% | 0.809 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -82.5 | -10.6 | -177.7 | -130.3 | 170.1 | -173.1 | 173.9 | 0 | 115.1 | N736 I737 | N736-K740 WeakPolarHBondContact O-CB 3.41Å; N736-K740 PolarHBondContact O-N 3Å; I737-K740 PolarHBondContact O-N 3.46Å |
| 741 | I | 30.4 | Very low | 25.5 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 62% | 0.621 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -11.8 | 179.5 | -71.3 | 169.3 | 0 | 0 | 0 | 112.6 | I737 | I737-I741 HydrophobicContact CG2-CD1 3.58Å; I737-I741 HydrophobicContact CG2-CG1 4.32Å; I737-I741 WeakPolarHBondContact O-CD1 3.2Å; I737-I741 VanDerWaalsContact O-CG1 3.23Å; I737-I741 WeakPolarHBondContact O-CG1 3.44Å; I737-I741 PolarHBondContact O-N 3.29Å |
| 742 | N | 26.1 | Very low | 25.4 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -99.1 | 16.7 | -174.3 | -73.1 | -27.6 | 0 | 0 | 0 | 115.8 | ||
| 743 | E | 25.7 | Very low | 25.1 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -101.9 | 125.9 | 165 | -82.1 | -173 | 161.9 | 0 | 0 | 111.6 | S745 | E743-S745 PolarHBondContact O-N 2.75Š|
| 744 | P | 26.7 | Very low | 24.9 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | -74.7 | 129.3 | -167.4 | 28.4 | -32.8 | 0 | 0 | 0 | 112.5 | R746 | P744-R746 PolarHBondContact O-N 3.28Š| ||
| 745 | S | 23.4 | Very low | 24.7 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -44.9 | 115 | 175.4 | -28.1 | 0 | 0 | 0 | 0 | 113.3 | E743 | E743-S745 PolarHBondContact O-N 2.75Š| ||
| 746 | R | 22 | Very low | 24.2 | Very low | 245 Ų | 245 | 150.6 Ų | 150.6 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | -82.3 | 116.4 | 153.8 | -110.8 | -179.5 | 177.3 | 171.1 | -0.2 | 108.2 | P744 | P744-R746 PolarHBondContact O-N 3.28Š| ||
| 747 | E | 19.1 | Very low | 24 | Very low | 181 Ų | 181 | 155 Ų | 155 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -57.8 | 141.7 | 166.1 | -66 | 172.3 | 147 | 0 | 0 | 110.8 | ||||
| 748 | I | 23.2 | Very low | 23.6 | Very low | 163 Ų | 163 | 155.6 Ų | 155.6 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -164 | 108.3 | 140.4 | -90.3 | 144.4 | 0 | 0 | 0 | 108.6 | ||||
| 749 | S | 20.6 | Very low | 23.5 | Very low | 92 Ų | 92 | 157.3 Ų | 157.3 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | trans | 13.8 | 124.3 | 146.9 | 60.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 750 | T | 19 | Very low | 23 | Very low | 124 Ų | 124 | 156.2 Ų | 156.2 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | 34.7 | 128.3 | 128.4 | 59 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 751 | I | 23.4 | Very low | 22.7 | Very low | 166 Ų | 166 | 153.1 Ų | 153.1 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | 175 | 151.5 | 128.4 | -87.1 | 156.8 | 0 | 0 | 0 | 109.7 | |||||
| 752 | P | 23.7 | Very low | 22.2 | Very low | 113 Ų | 113 | 152.8 Ų | 152.8 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -107.1 | 176 | -141.1 | 39.9 | -32.1 | 0 | 0 | 0 | 117.6 | ||||
| 753 | E | 20.1 | Very low | 22 | Very low | 189 Ų | 189 | 154.9 Ų | 154.9 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -15.4 | 115.2 | 169 | -62.4 | 179.8 | 151.2 | 0 | 0 | 118.5 | ||||
| 754 | E | 20.9 | Very low | 22 | Very low | 176 Ų | 176 | 152.3 Ų | 152.3 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | 175.7 | 111.1 | 125 | -101.1 | -177.5 | 173.1 | 0 | 0 | 109.8 | |||||
| 755 | N | 22.4 | Very low | 21.7 | Very low | 153 Ų | 153 | 154.6 Ų | 154.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | 169.6 | 106.7 | 130.4 | -86.5 | -31.6 | 0 | 0 | 0 | 111 | F757 | N755-F757 PolarHBondContact O-N 3.43Š| ||
| 756 | K | 19 | Very low | 21.9 | Very low | 218 Ų | 218 | 157.2 Ų | 157.2 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | trans | -61.5 | 110.8 | 153.9 | -78.1 | 169.9 | 174.8 | 168.7 | 0 | 107.4 | ||||
| 757 | F | 23.7 | Very low | 21.7 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 82% | 0.82 | 80% | 0.804 | S | S | * | * | trans | -126 | 120.2 | 160.3 | -156.2 | -101.5 | 0 | 0 | 0 | 109.9 | N755 | N755-F757 PolarHBondContact O-N 3.43Š| ||
| 758 | T | 21 | Very low | 21.9 | Very low | 105 Ų | 105 | 151.3 Ų | 151.3 | 64% | 0.644 | 80% | 0.802 | S | S | * | * | trans | -56.6 | 123.5 | 172.8 | 35.9 | 0 | 0 | 0 | 0 | 111.1 | N760 | T758-N760 PolarHBondContact O-N 3.06Š| ||
| 759 | L | 26 | Very low | 22 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | trans | -68.8 | 94.2 | 166.9 | -96.4 | 149.5 | 0 | 0 | 0 | 109.3 | ||||
| 760 | N | 19.4 | Very low | 22.1 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | trans | -76.4 | 140.7 | 155.8 | -88.2 | -10.7 | 0 | 0 | 0 | 109.1 | T758 S762 | T758-N760 PolarHBondContact O-N 3.06Å; N760-S762 PolarHBondContact O-N 3.13Å | ||
| 761 | S | 20.5 | Very low | 22.4 | Very low | 121 Ų | 121 | 152.9 Ų | 152.9 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -47.5 | 117.6 | 161.9 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 762 | S | 21.4 | Very low | 22.4 | Very low | 113 Ų | 113 | 154.7 Ų | 154.7 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -142 | 96.5 | 152.9 | 42.1 | 0 | 0 | 0 | 0 | 106.7 | N760 | N760-S762 PolarHBondContact O-N 3.13Š| ||
| 763 | Q | 21.3 | Very low | 22.5 | Very low | 184 Ų | 184 | 155.1 Ų | 155.1 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -73.7 | 148.9 | 146.3 | -82.3 | -160.7 | -44 | 0 | 0 | 107.5 | ||||
| 764 | P | 26.4 | Very low | 22.7 | Very low | 118 Ų | 118 | 151.2 Ų | 151.2 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -72.3 | 131.2 | -156.3 | 28 | -33.2 | 0 | 0 | 0 | 112.1 | L766 | P764-L766 PolarHBondContact O-N 3.05Š| ||
| 765 | E | 19.5 | Very low | 23 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -68.8 | 113.7 | 165.8 | -68.7 | 176.2 | 156.3 | 0 | 0 | 109 | ||||
| 766 | L | 27.6 | Very low | 23.2 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -95.4 | 115.1 | 158.5 | -132.7 | 94.8 | 0 | 0 | 0 | 107.1 | P764 | P764-L766 PolarHBondContact O-N 3.05Š| ||
| 767 | N | 18.2 | Very low | 23.8 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | trans | -91.8 | 145.9 | 178.8 | -88.8 | -26.3 | 0 | 0 | 0 | 111.9 | ||||
| 768 | H | 23.4 | Very low | 24.1 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | 69.9 | 138.5 | 164.1 | -71.3 | -71.1 | 0 | 0 | 0 | 116.5 | ||||
| 769 | S | 23.9 | Very low | 24.7 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | cis | -169.6 | 161 | 15.2 | 17.7 | 0 | 0 | 0 | 0 | 109.1 | D771 | S769-D771 PolarHBondContact O-N 3.38Š| ||
| 770 | N | 23.7 | Very low | 25.1 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -39.8 | 111.5 | 176.7 | -60.3 | -30.6 | 0 | 0 | 0 | 115.4 | ||||
| 771 | D | 25.8 | Very low | 25.9 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -114.2 | 109.3 | 145.9 | -84.1 | -33.1 | 0 | 0 | 0 | 107.8 | S769 V773 | S769-D771 PolarHBondContact O-N 3.38Å; D771-V773 VanDerWaalsContact C-N 3.31Å; D771-V773 PolarHBondContact O-N 3.21Å | ||
| 772 | F | 22.4 | Very low | 27.3 | Very low | 205 Ų | 205 | 149.7 Ų | 149.7 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | trans | -78.7 | 82 | 178.4 | -150 | -88.9 | 0 | 0 | 0 | 107.7 | ||||
| 773 | V | 26.6 | Very low | 28.7 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | -82 | 124.1 | 170.4 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | D771 E775 | D771-V773 VanDerWaalsContact C-N 3.31Å; D771-V773 PolarHBondContact O-N 3.21Å; V773-E775 PolarHBondContact O-N 2.85Å | ||
| 774 | P | 24.4 | Very low | 30.4 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | trans | -62.7 | 131.7 | -173.6 | -16.3 | 28.3 | 0 | 0 | 0 | 111.8 | N776 | P774-N776 PolarHBondContact O-N 2.95Š| ||
| 775 | E | 26.6 | Very low | 32.2 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -69.3 | 89 | 175.9 | -171.2 | 168.5 | -145.3 | 0 | 0 | 110 | V773 R779 | V773-E775 PolarHBondContact O-N 2.85Å; E775-R779 IonicContact OE1-CZ 3.42Å; E775-R779 IonicContact OE1-NH2 2.84Å; E775-R779 PolarHBondContact OE1-NH2 3.41Å |
| 776 | N | 25.8 | Very low | 34.5 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | trans | -159.5 | 76.4 | 162.4 | -101.7 | -10.7 | 0 | 0 | 0 | 110.3 | P774 | P774-N776 PolarHBondContact O-N 2.95Š| ||
| 777 | T | 31.6 | Very low | 36.4 | Very low | 130 Ų | 130 | 132 Ų | 132 | 80% | 0.798 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -144.4 | 123 | 154.4 | 10.4 | 0 | 0 | 0 | 0 | 106.6 | R779 | T777-R779 PolarHBondContact O-N 3.02Š|
| 778 | D | 30.7 | Very low | 38.9 | Very low | 162 Ų | 162 | 132 Ų | 132 | 87% | 0.866 | 70% | 0.703 | S | S | * | * | trans | -42.5 | 105.4 | 179 | -61.1 | -62.1 | 0 | 0 | 0 | 110.4 | E780 | D778-E780 PolarHBondContact O-N 2.93Š| ||
| 779 | R | 33.6 | Very low | 41.3 | Very low | 205 Ų | 205 | 124 Ų | 124 | 77% | 0.774 | 67% | 0.666 | S | S | * | * | trans | -66.7 | 103.2 | 172.6 | -71 | -174 | -173.3 | 159 | 13.5 | 106.8 | E775 T777 | E775-R779 IonicContact OE1-CZ 3.42Å; E775-R779 IonicContact OE1-NH2 2.84Å; E775-R779 PolarHBondContact OE1-NH2 3.41Å; T777-R779 PolarHBondContact O-N 3.02Å | ||
| 780 | E | 33.8 | Very low | 44 | Very low | 174 Ų | 174 | 121 Ų | 121 | 81% | 0.813 | 64% | 0.641 | S | S | * | * | trans | -47.7 | 134.1 | 159.7 | -73.4 | -172.9 | 152 | 0 | 0 | 108.2 | D778 V782 | D778-E780 PolarHBondContact O-N 2.93Å; E780-V782 PolarHBondContact O-N 3.31Å | ||
| 781 | P | 37.7 | Very low | 46.8 | Very low | 123 Ų | 123 | 113.6 Ų | 113.6 | 80% | 0.799 | 60% | 0.602 | S | S | * | * | trans | -59.7 | 118.6 | -175.2 | 23.7 | -32 | 0 | 0 | 0 | 108.7 | A783 | P781-A783 PolarHBondContact O-N 3.13Š| ||
| 782 | V | 48.8 | Very low | 49.7 | Very low | 128 Ų | 128 | 106.3 Ų | 106.3 | 78% | 0.776 | 56% | 0.563 | S | S | * | * | trans | -44.6 | 112.2 | 170.4 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | E780 V784 | E780-V782 PolarHBondContact O-N 3.31Å; V782-V784 WeakPolarHBondContact O-CG2 3.22Å; V782-V784 PolarHBondContact O-N 3.39Å | ||
| 783 | A | 51.8 | Low | 52.8 | Low | 63 Ų | 63 | 96.6 Ų | 96.6 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | trans | -54.9 | 114.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | P781 N785 | P781-A783 PolarHBondContact O-N 3.13Å; A783-N785 PolarHBondContact O-N 3.31Å | ||
| 784 | V | 56.2 | Low | 55.8 | Low | 49 Ų | 49 | 92.6 Ų | 92.6 | 30% | 0.297 | 49% | 0.493 | S | S | . | . | trans | -86.7 | 107.8 | 179.1 | -177.8 | 0 | 0 | 0 | 0 | 107.1 | M671 V782 L786 M789 | M671-V784 VanDerWaalsContact CE-O 3.27Å; M671-V784 WeakPolarHBondContact CE-O 3.22Å; V782-V784 WeakPolarHBondContact O-CG2 3.22Å; V782-V784 PolarHBondContact O-N 3.39Å; V784-L786 PolarHBondContact O-N 2.82Å; V784-M789 HydrophobicContact CG1-CE 3.54Å; V784-M789 HydrophobicContact CG1-CG 4.1Å; V784-M789 HydrophobicContact CG1-SD 3.86Å | ||
| 785 | N | 65 | Low | 58.9 | Low | 101 Ų | 101 | 89.1 Ų | 89.1 | 54% | 0.54 | 47% | 0.47 | S | S | . | . | trans | -58.7 | 114.8 | 174.8 | -73.3 | -11.6 | 0 | 0 | 0 | 110 | A783 E787 L788 | A783-N785 PolarHBondContact O-N 3.31Å; N785-E787 PolarHBondContact O-N 3.08Å; N785-L788 HydrophobicContact CB-CB 4.26Å; N785-L788 WeakPolarHBondContact O-CB 3.48Å; N785-L788 PolarHBondContact O-N 3.15Å | ||
| 786 | L | 67.4 | Low | 62 | Low | 20 Ų | 20 | 81.6 Ų | 81.6 | 11% | 0.105 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -64 | -32.1 | -173.3 | -152.7 | 70.2 | 0 | 0 | 0 | 111.9 | E667 Y680 V784 L788 M789 | E667-L786 HydrophobicContact CG-CD2 4.17Å; Y680-L786 HydrophobicContact CD1-CD2 4.06Å; Y680-L786 HydrophobicContact CE1-CD2 3.37Å; Y680-L786 HydrophobicContact CE2-CD2 4.43Å; V784-L786 PolarHBondContact O-N 2.82Å; L786-L788 VanDerWaalsContact C-N 3.26Å; L786-L788 PolarHBondContact O-N 3.07Å; L786-M789 WeakPolarHBondContact O-CB 3.46Å; L786-M789 PolarHBondContact O-N 3Å; L786-M789 VanDerWaalsContact O-N 3.13Å |
| 787 | E | 66.8 | Low | 65.1 | Low | 158 Ų | 158 | 74.4 Ų | 74.4 | 74% | 0.738 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -58.8 | -36.9 | 172.7 | -58.9 | -172 | 154.1 | 0 | 0 | 112.6 | N785 M789 H790 | N785-E787 PolarHBondContact O-N 3.08Å; E787-M789 PolarHBondContact O-N 2.95Å; E787-H790 PolarHBondContact O-N 2.98Å |
| 788 | L | 70 | Confident | 67.9 | Low | 125 Ų | 125 | 69.3 Ų | 69.3 | 65% | 0.654 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -75 | -12.4 | -179.2 | -143.9 | 78 | 0 | 0 | 0 | 112.8 | N785 L786 H790 | N785-L788 HydrophobicContact CB-CB 4.26Å; N785-L788 WeakPolarHBondContact O-CB 3.48Å; N785-L788 PolarHBondContact O-N 3.15Å; L786-L788 VanDerWaalsContact C-N 3.26Å; L786-L788 PolarHBondContact O-N 3.07Å; L788-H790 VanDerWaalsContact C-N 3.28Å; L788-H790 PolarHBondContact O-CD2 3.12Å |
| 789 | M | 75.1 | Confident | 70.8 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -75.6 | -16.4 | 175.6 | -65.9 | -73.7 | -132.6 | 0 | 0 | 112.6 | V784 L786 E787 G791 W792 N853 | V784-M789 HydrophobicContact CG1-CE 3.54Å; V784-M789 HydrophobicContact CG1-CG 4.1Å; V784-M789 HydrophobicContact CG1-SD 3.86Å; L786-M789 WeakPolarHBondContact O-CB 3.46Å; L786-M789 PolarHBondContact O-N 3Å; L786-M789 VanDerWaalsContact O-N 3.13Å; E787-M789 PolarHBondContact O-N 2.95Å; M789-G791 PolarHBondContact O-N 3.15Å; M789-G791 VanDerWaalsContact O-N 3.12Å; M789-W792 VanDerWaalsContact O-CB 3.22Å; M789-W792 WeakPolarHBondContact O-CB 3.48Å; M789-W792 PolarHBondContact O-N 2.92Å; M789-N853 WeakPolarHBondContact CE-O 3.07Å |
| 790 | H | 79.5 | Confident | 73.7 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 18% | 0.181 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 33.7 | -178.2 | -64.1 | -68.2 | 0 | 0 | 0 | 113.9 | V718 I719 E720 E787 L788 R861 | V718-H790 WeakPolarHBondContact CA-O 3.31Å; V718-H790 HydrophobicContact CG1-CB 4.15Å; I719-H790 PolarHBondContact N-O 2.87Å; I719-H790 PolarHBondContact O-ND1 3.08Å; E720-H790 IonicContact OE1-ND1 2.78Å; E787-H790 PolarHBondContact O-N 2.98Å; L788-H790 VanDerWaalsContact C-N 3.28Å; L788-H790 PolarHBondContact O-CD2 3.12Å; H790-R861 PolarHBondContact NE2-NH2 3Å |
| 791 | G | 82.3 | Confident | 76.5 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 9.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y681 M789 C793 | Y681-G791 WeakPolarHBondContact OH-CA 3.39Å; M789-G791 PolarHBondContact O-N 3.15Å; M789-G791 VanDerWaalsContact O-N 3.12Å; G791-C793 PolarHBondContact O-N 3.11Å |
| 792 | W | 86.9 | Confident | 79 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -65.9 | 122.3 | 178.3 | 176.2 | -111.7 | 0 | 0 | 0 | 111.8 | H677 M789 K794 N797 V846 S850 K851 P855 P856 H860 F864 | H677-W792 PolarHBondContact CE1-O 3.35Å; M789-W792 VanDerWaalsContact O-CB 3.22Å; M789-W792 WeakPolarHBondContact O-CB 3.48Å; M789-W792 PolarHBondContact O-N 2.92Å; W792-K794 HydrophobicContact CZ2-CB 3.99Å; W792-K794 HydrophobicContact CZ2-CG 4.33Å; W792-N797 HydrophobicContact CE3-CB 4.33Å; W792-N797 HydrophobicContact CH2-CB 4.32Å; W792-N797 HydrophobicContact CZ3-CB 3.85Å; W792-N797 VanDerWaalsContact CZ3-ND2 3.26Å; W792-N797 WeakPolarHBondContact CZ3-ND2 3.18Å; W792-V846 HydrophobicContact CH2-CG1 3.94Å; W792-S850 VanDerWaalsContact CZ2-CB 3.5Å; W792-K851 PolarHBondContact NE1-O 3.1Å; W792-P855 HydrophobicContact CB-CB 3.86Å; W792-P855 HydrophobicContact CG-CB 4.02Å; W792-P856 HydrophobicContact CH2-CG 4.03Å; W792-P856 HydrophobicContact CZ2-CG 4.34Å; W792-P856 HydrophobicContact CZ3-CG 4.12Å; W792-H860 AromaticContact CE3-CD2 3.24Å; W792-H860 AromaticContact CE3-NE2 3.45Å; W792-H860 AromaticContact CZ3-CD2 3.84Å; W792-F864 HydrophobicContact CE3-CE2 4.45Å; W792-F864 HydrophobicContact CH2-CE2 4.43Å; W792-F864 HydrophobicContact CH2-CZ 4.46Å; W792-F864 HydrophobicContact CZ3-CD2 4.33Å; W792-F864 AromaticContact CZ3-CE2 3.58Å; W792-F864 HydrophobicContact CZ3-CE2 3.58Å; W792-F864 AromaticContact CZ3-CZ 3.8Å; W792-F864 HydrophobicContact CZ3-CZ 3.8Å | ||
| 793 | C | 88.5 | Confident | 81 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -136.1 | 106.9 | 167.2 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | Y681 G791 L796 N797 | Y681-C793 HydrophobicContact CD2-CB 3.76Å; Y681-C793 HydrophobicContact CE2-CB 4.09Å; Y681-C793 HydrophobicContact CG-CB 4.41Å; G791-C793 PolarHBondContact O-N 3.11Å; C793-L796 HydrophobicContact CB-CB 3.92Å; C793-L796 HydrophobicContact CB-CD2 4.43Å; C793-L796 PolarHBondContact O-N 3.27Å; C793-N797 WeakPolarHBondContact O-CB 3.25Å; C793-N797 PolarHBondContact O-N 2.87Å; C793-N797 PolarHBondContact O-OD1 2.73Å | ||
| 794 | K | 89.1 | Confident | 82.9 | Confident | 38 Ų | 38 | 38.2 Ų | 38.2 | 17% | 0.165 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -50.4 | -55.4 | -174.1 | -179.3 | 173.9 | -179.3 | 169.7 | 0 | 114.3 | W792 L796 N797 V798 F847 S850 W852 | W792-K794 HydrophobicContact CZ2-CB 3.99Å; W792-K794 HydrophobicContact CZ2-CG 4.33Å; K794-L796 VanDerWaalsContact C-N 3.34Å; K794-L796 PolarHBondContact O-N 3Å; K794-N797 PolarHBondContact O-N 2.96Å; K794-V798 HydrophobicContact CG-CG2 4.25Å; K794-V798 WeakPolarHBondContact O-CB 3.07Å; K794-V798 WeakPolarHBondContact O-CG2 3.47Å; K794-V798 PolarHBondContact O-N 3.13Å; K794-F847 WeakPolarHBondContact CE-O 3.2Å; K794-F847 PolarHBondContact NZ-O 2.87Å; K794-S850 PolarHBondContact NZ-O 2.9Å; K794-W852 HydrophobicContact CB-CB 4.2Å; K794-W852 HydrophobicContact CD-CB 4.21Å |
| 795 | P | 89.8 | Confident | 84.5 | Confident | 33 Ų | 33 | 36.4 Ų | 36.4 | 21% | 0.214 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | -178.2 | 24.3 | -34.4 | 0 | 0 | 0 | 112.4 | V674 F678 F799 | V674-P795 HydrophobicContact CG1-CG 3.85Å; F678-P795 HydrophobicContact CB-CG 4.03Å; F678-P795 HydrophobicContact CD2-CB 4.38Å; F678-P795 HydrophobicContact CD2-CG 3.97Å; F678-P795 HydrophobicContact CG-CG 4.33Å; P795-F799 VanDerWaalsContact O-CB 3.3Å; P795-F799 WeakPolarHBondContact O-CB 3.27Å; P795-F799 PolarHBondContact O-N 3.27Å |
| 796 | L | 90.7 | Very high | 85.5 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -49.1 | 177.9 | -179.2 | 61.9 | 0 | 0 | 0 | 111.3 | F678 M682 L713 C793 K794 V798 F799 Q800 | F678-L796 HydrophobicContact CD2-CB 4.01Å; F678-L796 HydrophobicContact CE2-CB 3.99Å; F678-L796 HydrophobicContact CE2-CD1 4.06Å; M682-L796 HydrophobicContact SD-CD1 4.4Å; L713-L796 HydrophobicContact CD2-CD1 3.92Å; C793-L796 HydrophobicContact CB-CB 3.92Å; C793-L796 HydrophobicContact CB-CD2 4.43Å; C793-L796 PolarHBondContact O-N 3.27Å; K794-L796 VanDerWaalsContact C-N 3.34Å; K794-L796 PolarHBondContact O-N 3Å; L796-V798 PolarHBondContact O-N 3.33Å; L796-F799 WeakPolarHBondContact O-CB 3.44Å; L796-F799 PolarHBondContact O-N 3.14Å; L796-Q800 HydrophobicContact CD1-CG 4.39Å; L796-Q800 HydrophobicContact CG-CG 4.49Å; L796-Q800 WeakPolarHBondContact O-CB 3.48Å; L796-Q800 VanDerWaalsContact O-CG 3.26Å; L796-Q800 WeakPolarHBondContact O-CG 3.47Å; L796-Q800 PolarHBondContact O-N 2.78Å |
| 797 | N | 91.7 | Very high | 86.5 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.8 | -34.9 | -176.2 | -70.2 | 8.5 | 0 | 0 | 0 | 112.1 | W792 C793 K794 Q800 C801 F864 | W792-N797 HydrophobicContact CE3-CB 4.33Å; W792-N797 HydrophobicContact CH2-CB 4.32Å; W792-N797 HydrophobicContact CZ3-CB 3.85Å; W792-N797 VanDerWaalsContact CZ3-ND2 3.26Å; W792-N797 WeakPolarHBondContact CZ3-ND2 3.18Å; C793-N797 WeakPolarHBondContact O-CB 3.25Å; C793-N797 PolarHBondContact O-N 2.87Å; C793-N797 PolarHBondContact O-OD1 2.73Å; K794-N797 PolarHBondContact O-N 2.96Å; N797-Q800 PolarHBondContact O-N 3.09Å; N797-Q800 PolarHBondContact OD1-OE1 3.49Å; N797-C801 PolarHBondContact O-N 3.22Å; N797-C801 PolarHBondContact O-SG 3.42Å; N797-F864 HydrophobicContact CB-CE1 3.8Å; N797-F864 HydrophobicContact CB-CZ 4.02Å |
| 798 | V | 91.5 | Very high | 87.6 | Confident | 24 Ų | 24 | 28 Ų | 28 | 15% | 0.145 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 172.4 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | K794 L796 C801 L802 A843 V846 F847 | K794-V798 HydrophobicContact CG-CG2 4.25Å; K794-V798 WeakPolarHBondContact O-CB 3.07Å; K794-V798 WeakPolarHBondContact O-CG2 3.47Å; K794-V798 PolarHBondContact O-N 3.13Å; L796-V798 PolarHBondContact O-N 3.33Å; V798-C801 PolarHBondContact O-N 3.25Å; V798-L802 PolarHBondContact O-N 3.5Å; V798-A843 HydrophobicContact CG1-CB 4.22Å; V798-V846 HydrophobicContact CG2-CG1 4Å; V798-F847 HydrophobicContact CG1-CB 4.28Å; V798-F847 HydrophobicContact CG1-CD2 4.38Å; V798-F847 HydrophobicContact CG2-CB 4.18Å; V798-F847 HydrophobicContact CG2-CD2 4.38Å |
| 799 | F | 91.5 | Very high | 88.4 | Confident | 94 Ų | 94 | 22.4 Ų | 22.4 | 41% | 0.412 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.3 | -179.9 | -104 | 0 | 0 | 0 | 111.8 | L713 P795 L796 C801 L802 L803 | L713-F799 HydrophobicContact CB-CE1 4.42Å; L713-F799 HydrophobicContact CD2-CD1 4.38Å; L713-F799 HydrophobicContact CD2-CE1 4.27Å; P795-F799 VanDerWaalsContact O-CB 3.3Å; P795-F799 WeakPolarHBondContact O-CB 3.27Å; P795-F799 PolarHBondContact O-N 3.27Å; L796-F799 WeakPolarHBondContact O-CB 3.44Å; L796-F799 PolarHBondContact O-N 3.14Å; F799-C801 PolarHBondContact O-N 3.21Å; F799-L802 WeakPolarHBondContact O-CB 3.02Å; F799-L802 PolarHBondContact O-N 3.18Å; F799-L803 HydrophobicContact CD1-CD2 4.43Å; F799-L803 HydrophobicContact CE1-CB 4.47Å; F799-L803 HydrophobicContact CE1-CD2 3.61Å; F799-L803 HydrophobicContact CZ-CD2 3.99Å; F799-L803 WeakPolarHBondContact O-CB 3.46Å; F799-L803 PolarHBondContact O-N 2.85Å |
| 800 | Q | 93.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.2 | -73.7 | 168.4 | -12.3 | 0 | 0 | 111.9 | R712 L713 I715 P716 L796 N797 L802 L803 V804 | R712-Q800 PolarHBondContact O-NE2 2.98Å; L713-Q800 VanDerWaalsContact O-CG 3.27Å; L713-Q800 WeakPolarHBondContact O-CG 3.47Å; I715-Q800 PolarHBondContact O-NE2 2.89Å; P716-Q800 VanDerWaalsContact CA-OE1 3.22Å; P716-Q800 HydrophobicContact CG-CB 4.03Å; P716-Q800 HydrophobicContact CG-CG 4.42Å; L796-Q800 HydrophobicContact CD1-CG 4.39Å; L796-Q800 HydrophobicContact CG-CG 4.49Å; L796-Q800 WeakPolarHBondContact O-CB 3.48Å; L796-Q800 VanDerWaalsContact O-CG 3.26Å; L796-Q800 WeakPolarHBondContact O-CG 3.47Å; L796-Q800 PolarHBondContact O-N 2.78Å; N797-Q800 PolarHBondContact O-N 3.09Å; N797-Q800 PolarHBondContact OD1-OE1 3.49Å; Q800-L802 PolarHBondContact O-N 2.64Å; Q800-L802 VanDerWaalsContact O-N 3.17Å; Q800-L803 PolarHBondContact O-N 3.38Å; Q800-V804 HydrophobicContact CB-CG2 4.19Å; Q800-V804 WeakPolarHBondContact O-CB 3.48Å; Q800-V804 WeakPolarHBondContact O-CG2 3.41Å; Q800-V804 PolarHBondContact O-N 3.04Å |
| 801 | C | 92.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.6 | -31.9 | 175.6 | -76.8 | 0 | 0 | 0 | 0 | 113.2 | N797 V798 F799 P805 G839 I842 A843 | N797-C801 PolarHBondContact O-N 3.22Å; N797-C801 PolarHBondContact O-SG 3.42Å; V798-C801 PolarHBondContact O-N 3.25Å; F799-C801 PolarHBondContact O-N 3.21Å; C801-P805 WeakPolarHBondContact O-CD 3.3Å; C801-G839 CarbonylContact O-C 3.56Å; C801-G839 WeakPolarHBondContact O-CA 3.46Å; C801-I842 HydrophobicContact CB-CG2 3.98Å; C801-A843 HydrophobicContact CB-CB 3.98Å |
| 802 | L | 90.9 | Very high | 89.3 | Confident | 55 Ų | 55 | 25.4 Ų | 25.4 | 29% | 0.288 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -77.8 | -48.6 | 175.2 | 178.2 | 64.5 | 0 | 0 | 0 | 111.9 | V798 F799 Q800 L836 F840 A843 | V798-L802 PolarHBondContact O-N 3.5Å; F799-L802 WeakPolarHBondContact O-CB 3.02Å; F799-L802 PolarHBondContact O-N 3.18Å; Q800-L802 PolarHBondContact O-N 2.64Å; Q800-L802 VanDerWaalsContact O-N 3.17Å; L802-L836 HydrophobicContact CD1-CD1 3.78Å; L802-L836 HydrophobicContact CG-CD1 4.28Å; L802-F840 HydrophobicContact CD1-CB 3.82Å; L802-F840 HydrophobicContact CD1-CD2 3.97Å; L802-F840 HydrophobicContact CD1-CG 4.42Å; L802-A843 HydrophobicContact CB-CB 4.17Å |
| 803 | L | 90.1 | Very high | 88.6 | Confident | 49 Ų | 49 | 26 Ų | 26 | 26% | 0.257 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -76.1 | -43.3 | -171.3 | -177.7 | 63.4 | 0 | 0 | 0 | 112.7 | T714 F799 Q800 A806 L807 | T714-L803 HydrophobicContact CG2-CD2 3.83Å; F799-L803 HydrophobicContact CD1-CD2 4.43Å; F799-L803 HydrophobicContact CE1-CB 4.47Å; F799-L803 HydrophobicContact CE1-CD2 3.61Å; F799-L803 HydrophobicContact CZ-CD2 3.99Å; F799-L803 WeakPolarHBondContact O-CB 3.46Å; F799-L803 PolarHBondContact O-N 2.85Å; Q800-L803 PolarHBondContact O-N 3.38Å; L803-A806 PolarHBondContact O-N 3.16Å; L803-L807 HydrophobicContact CD1-CD1 4.06Å; L803-L807 HydrophobicContact CD1-CD2 4.25Å; L803-L807 HydrophobicContact CD1-CG 3.92Å; L803-L807 HydrophobicContact CD2-CD1 4Å; L803-L807 HydrophobicContact CG-CD1 3.6Å; L803-L807 HydrophobicContact CG-CG 3.91Å; L803-L807 WeakPolarHBondContact O-CG 3.21Å; L803-L807 PolarHBondContact O-N 3.06Å |
| 804 | V | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.3 | -55.2 | -171.8 | 158 | 0 | 0 | 0 | 0 | 113.1 | T714 P716 Q800 A806 L807 W808 L867 T871 | T714-V804 WeakPolarHBondContact O-CG2 3.24Å; P716-V804 HydrophobicContact CG-CG2 4.2Å; Q800-V804 HydrophobicContact CB-CG2 4.19Å; Q800-V804 WeakPolarHBondContact O-CB 3.48Å; Q800-V804 WeakPolarHBondContact O-CG2 3.41Å; Q800-V804 PolarHBondContact O-N 3.04Å; V804-A806 VanDerWaalsContact C-N 3.25Å; V804-A806 PolarHBondContact O-N 3.45Å; V804-L807 PolarHBondContact O-N 3.26Å; V804-L807 VanDerWaalsContact O-N 3.12Å; V804-W808 HydrophobicContact CG1-CZ2 4.15Å; V804-W808 VanDerWaalsContact O-CD1 3.24Å; V804-W808 PolarHBondContact O-N 3.45Å; V804-L867 HydrophobicContact CG1-CD2 4.2Å; V804-T871 HydrophobicContact CB-CG2 4.06Å; V804-T871 HydrophobicContact CG1-CG2 3.16Å; V804-T871 HydrophobicContact CG2-CG2 3.82Å |
| 805 | P | 89.4 | Confident | 86.4 | Confident | 11 Ų | 11 | 32 Ų | 32 | 7% | 0.071 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -35.8 | -177 | -23.8 | 36.7 | 0 | 0 | 0 | 111.9 | C801 L807 W808 P809 F835 | C801-P805 WeakPolarHBondContact O-CD 3.3Å; P805-L807 VanDerWaalsContact C-N 3.33Å; P805-W808 PolarHBondContact O-N 2.86Å; P805-P809 WeakPolarHBondContact O-CD 3.48Å; P805-F835 HydrophobicContact CB-CB 4.29Å; P805-F835 HydrophobicContact CB-CD1 4.44Å; P805-F835 VanDerWaalsContact O-CB 3.27Å; P805-F835 WeakPolarHBondContact O-CB 3.42Å; P805-F835 WeakPolarHBondContact O-CD1 3.37Å |
| 806 | A | 86.9 | Confident | 85.1 | Confident | 11 Ų | 11 | 31.9 Ų | 31.9 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.7 | -31.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L803 V804 P809 M810 L836 | L803-A806 PolarHBondContact O-N 3.16Å; V804-A806 VanDerWaalsContact C-N 3.25Å; V804-A806 PolarHBondContact O-N 3.45Å; A806-P809 WeakPolarHBondContact O-CD 3.25Å; A806-M810 WeakPolarHBondContact O-CG 3.35Å; A806-L836 HydrophobicContact CB-CB 3.99Å; A806-L836 HydrophobicContact CB-CD1 3.91Å |
| 807 | L | 89.2 | Confident | 84.1 | Confident | 37 Ų | 37 | 37.9 Ų | 37.9 | 19% | 0.194 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.3 | -29.7 | 177.8 | -76.6 | -179.8 | 0 | 0 | 0 | 113.6 | T714 L803 V804 P805 M810 L811 | T714-L807 HydrophobicContact CG2-CD1 3.37Å; L803-L807 HydrophobicContact CD1-CD1 4.06Å; L803-L807 HydrophobicContact CD1-CD2 4.25Å; L803-L807 HydrophobicContact CD1-CG 3.92Å; L803-L807 HydrophobicContact CD2-CD1 4Å; L803-L807 HydrophobicContact CG-CD1 3.6Å; L803-L807 HydrophobicContact CG-CG 3.91Å; L803-L807 WeakPolarHBondContact O-CG 3.21Å; L803-L807 PolarHBondContact O-N 3.06Å; V804-L807 PolarHBondContact O-N 3.26Å; V804-L807 VanDerWaalsContact O-N 3.12Å; P805-L807 VanDerWaalsContact C-N 3.33Å; L807-M810 WeakPolarHBondContact O-CB 3.25Å; L807-M810 PolarHBondContact O-N 3.39Å; L807-M810 VanDerWaalsContact O-N 3.09Å; L807-L811 HydrophobicContact CB-CD1 4.39Å; L807-L811 WeakPolarHBondContact O-CB 3.39Å; L807-L811 WeakPolarHBondContact O-CG 3.28Å; L807-L811 PolarHBondContact O-N 2.85Å |
| 808 | W | 89.2 | Confident | 83.4 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 21% | 0.212 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.1 | -56.7 | -178.4 | -68.4 | -1 | 0 | 0 | 0 | 113.6 | V804 P805 M810 L811 L812 L867 I870 T871 I874 | V804-W808 HydrophobicContact CG1-CZ2 4.15Å; V804-W808 VanDerWaalsContact O-CD1 3.24Å; V804-W808 PolarHBondContact O-N 3.45Å; P805-W808 PolarHBondContact O-N 2.86Å; W808-M810 PolarHBondContact O-N 3.47Å; W808-L811 PolarHBondContact O-N 3.26Å; W808-L812 WeakPolarHBondContact O-CG 3.45Å; W808-L812 PolarHBondContact O-N 3.01Å; W808-L867 HydrophobicContact CH2-CD2 4.23Å; W808-L867 HydrophobicContact CZ2-CD2 4.03Å; W808-I870 HydrophobicContact CH2-CB 4.36Å; W808-I870 HydrophobicContact CH2-CD1 4.44Å; W808-I870 HydrophobicContact CH2-CG2 3.71Å; W808-I870 HydrophobicContact CZ2-CB 4.01Å; W808-I870 HydrophobicContact CZ2-CG2 3.48Å; W808-I870 VanDerWaalsContact CZ2-CG2 3.48Å; W808-I870 HydrophobicContact CZ3-CG2 4.37Å; W808-T871 HydrophobicContact CZ2-CG2 4.36Å; W808-I874 HydrophobicContact CB-CD1 3.9Å; W808-I874 HydrophobicContact CD2-CD1 3.66Å; W808-I874 HydrophobicContact CE3-CD1 4.44Å; W808-I874 HydrophobicContact CG-CD1 3.37Å |
| 809 | P | 86.4 | Confident | 82.8 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.039 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.9 | -21.5 | 176.9 | 29.5 | -36.5 | 0 | 0 | 0 | 112.8 | P805 A806 G820 I831 F832 F835 | P805-P809 WeakPolarHBondContact O-CD 3.48Å; A806-P809 WeakPolarHBondContact O-CD 3.25Å; P809-G820 WeakPolarHBondContact O-CA 3.35Å; P809-G820 PolarHBondContact O-N 3.38Å; P809-I831 HydrophobicContact CB-CG2 3.88Å; P809-F832 HydrophobicContact CG-CB 4Å; P809-F835 HydrophobicContact CG-CB 4.48Å; P809-F835 HydrophobicContact CG-CD2 3.98Å; P809-F835 HydrophobicContact CG-CE2 4.42Å; P809-F835 HydrophobicContact CG-CG 4.19Å |
| 810 | M | 84.7 | Confident | 82.1 | Confident | 37 Ų | 37 | 36.1 Ų | 36.1 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.4 | -37.9 | 174.3 | -72.6 | -77.3 | 96.2 | 0 | 0 | 112.5 | A806 L807 W808 L812 C818 L821 F832 | A806-M810 WeakPolarHBondContact O-CG 3.35Å; L807-M810 WeakPolarHBondContact O-CB 3.25Å; L807-M810 PolarHBondContact O-N 3.39Å; L807-M810 VanDerWaalsContact O-N 3.09Å; W808-M810 PolarHBondContact O-N 3.47Å; M810-L812 VanDerWaalsContact C-N 3.33Å; M810-C818 HydrophobicContact CE-CB 4.41Å; M810-C818 WeakPolarHBondContact O-CB 3.46Å; M810-L821 HydrophobicContact CE-CB 4.44Å; M810-L821 HydrophobicContact CE-CD2 4.12Å; M810-L821 HydrophobicContact CE-CG 3.77Å; M810-L821 VanDerWaalsContact CE-N 3.26Å; M810-F832 HydrophobicContact CE-CB 4.05Å; M810-F832 HydrophobicContact CE-CD1 3.86Å; M810-F832 HydrophobicContact CE-CG 4.23Å; M810-F832 HydrophobicContact CG-CB 4.43Å |
| 811 | L | 86.3 | Confident | 81.5 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -80.2 | -15.3 | -179.6 | -72.6 | 171.3 | 0 | 0 | 0 | 113.2 | F87 L807 W808 I874 W875 A878 | F87-L811 HydrophobicContact CZ-CD2 4.21Å; F87-L811 VanDerWaalsContact CZ-O 3.3Å; F87-L811 WeakPolarHBondContact CZ-O 3.43Å; L807-L811 HydrophobicContact CB-CD1 4.39Å; L807-L811 WeakPolarHBondContact O-CB 3.39Å; L807-L811 WeakPolarHBondContact O-CG 3.28Å; L807-L811 PolarHBondContact O-N 2.85Å; W808-L811 PolarHBondContact O-N 3.26Å; L811-I874 HydrophobicContact CB-CG2 3.7Å; L811-I874 HydrophobicContact CD1-CG2 3.97Å; L811-W875 HydrophobicContact CD1-CD2 3.81Å; L811-W875 HydrophobicContact CD1-CE3 4.31Å; L811-W875 HydrophobicContact CD1-CG 4.15Å; L811-W875 HydrophobicContact CD1-CZ2 4.06Å; L811-W875 HydrophobicContact CD2-CD2 4.34Å; L811-W875 HydrophobicContact CD2-CE3 4.01Å; L811-W875 HydrophobicContact CD2-CH2 3.85Å; L811-W875 HydrophobicContact CD2-CZ2 4.19Å; L811-W875 HydrophobicContact CD2-CZ3 3.76Å; L811-A878 HydrophobicContact CD2-CB 4.35Å |
| 812 | L | 83.9 | Confident | 80.8 | Confident | 59 Ų | 59 | 42.6 Ų | 42.6 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | trans | -87.9 | 119.9 | 173.5 | -63.2 | 171.4 | 0 | 0 | 0 | 109.3 | W808 M810 I819 Y877 | W808-L812 WeakPolarHBondContact O-CG 3.45Å; W808-L812 PolarHBondContact O-N 3.01Å; M810-L812 VanDerWaalsContact C-N 3.33Å; L812-I819 HydrophobicContact CB-CD1 3.82Å; L812-I819 HydrophobicContact CB-CG1 4.43Å; L812-I819 WeakPolarHBondContact O-CB 3.41Å; L812-I819 WeakPolarHBondContact O-CG1 3.32Å; L812-I819 PolarHBondContact O-N 3.19Å; L812-Y877 HydrophobicContact CD2-CD1 3.88Å; L812-Y877 HydrophobicContact CD2-CE1 3.8Å | ||
| 813 | T | 73.5 | Confident | 80.4 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 142.2 | 177.7 | 47.2 | 0 | 0 | 0 | 0 | 110.6 | S85 F87 K817 | S85-T813 PolarHBondContact O-OG1 3.4Å; F87-T813 HydrophobicContact CD1-CG2 3.58Å; F87-T813 HydrophobicContact CD2-CG2 4.46Å; F87-T813 HydrophobicContact CE1-CG2 3.42Å; F87-T813 VanDerWaalsContact CE1-CG2 3.42Å; F87-T813 HydrophobicContact CE2-CG2 4.3Å; F87-T813 HydrophobicContact CG-CG2 4.12Å; F87-T813 HydrophobicContact CZ-CG2 3.81Å; T813-K817 WeakPolarHBondContact CA-O 3.37Å |
| 814 | A | 68.8 | Low | 80.1 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 135.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G816 K817 I819 | A814-G816 VanDerWaalsContact C-N 3.27Å; A814-G816 PolarHBondContact O-N 2.92Å; A814-K817 PolarHBondContact N-O 2.95Å; A814-K817 PolarHBondContact O-N 3.35Å; A814-I819 HydrophobicContact CB-CD1 3.89Å; A814-I819 HydrophobicContact CB-CG1 3.64Å |
| 815 | N | 61.8 | Low | 79.6 | Confident | 124 Ų | 124 | 48.3 Ų | 48.3 | 66% | 0.663 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 38.5 | -179.8 | -49.7 | -21 | 0 | 0 | 0 | 113.2 | D84 K817 | D84-N815 PolarHBondContact O-N 3.45Å; D84-N815 WeakPolarHBondContact OD1-CA 3.15Å; N815-K817 PolarHBondContact O-N 3.33Å; N815-K817 VanDerWaalsContact O-N 3.15Å |
| 816 | G | 63.5 | Low | 79.2 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 11.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D84 A814 | D84-G816 PolarHBondContact O-N 3.33Å; A814-G816 VanDerWaalsContact C-N 3.27Å; A814-G816 PolarHBondContact O-N 2.92Å |
| 817 | K | 68.8 | Low | 79.1 | Confident | 127 Ų | 127 | 60.5 Ų | 60.5 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 147 | 177.9 | -67.4 | -177.3 | -179.2 | 179.7 | 0 | 111 | T813 A814 N815 I819 | T813-K817 WeakPolarHBondContact CA-O 3.37Å; A814-K817 PolarHBondContact N-O 2.95Å; A814-K817 PolarHBondContact O-N 3.35Å; N815-K817 PolarHBondContact O-N 3.33Å; N815-K817 VanDerWaalsContact O-N 3.15Å; K817-I819 PolarHBondContact O-N 2.84Å |
| 818 | C | 77.7 | Confident | 78.8 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 20% | 0.203 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 124.7 | 171.1 | -50.9 | 0 | 0 | 0 | 0 | 109.5 | M810 G820 L821 | M810-C818 HydrophobicContact CE-CB 4.41Å; M810-C818 WeakPolarHBondContact O-CB 3.46Å; C818-G820 PolarHBondContact O-N 2.94Å; C818-L821 HydrophobicContact CB-CD1 4.36Å; C818-L821 HydrophobicContact CB-CG 4.44Å; C818-L821 PolarHBondContact O-N 2.79Å |
| 819 | I | 78.7 | Confident | 78.7 | Confident | 55 Ų | 55 | 66.1 Ų | 66.1 | 28% | 0.282 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -55.8 | -38.5 | -179.9 | -67.1 | 176.9 | 0 | 0 | 0 | 110 | L812 A814 K817 L821 S822 I831 | L812-I819 HydrophobicContact CB-CD1 3.82Å; L812-I819 HydrophobicContact CB-CG1 4.43Å; L812-I819 WeakPolarHBondContact O-CB 3.41Å; L812-I819 WeakPolarHBondContact O-CG1 3.32Å; L812-I819 PolarHBondContact O-N 3.19Å; A814-I819 HydrophobicContact CB-CD1 3.89Å; A814-I819 HydrophobicContact CB-CG1 3.64Å; K817-I819 PolarHBondContact O-N 2.84Å; I819-L821 PolarHBondContact O-N 3.15Å; I819-L821 VanDerWaalsContact O-N 3.16Å; I819-S822 WeakPolarHBondContact O-CB 3.42Å; I819-S822 PolarHBondContact O-N 3.31Å; I819-S822 PolarHBondContact O-OG 3.35Å; I819-I831 HydrophobicContact CG2-CD1 3.86Å; I819-I831 WeakPolarHBondContact O-CD1 3.29Å |
| 820 | G | 76.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -61.7 | -25.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P809 C818 S822 P830 I831 F832 | P809-G820 WeakPolarHBondContact O-CA 3.35Å; P809-G820 PolarHBondContact O-N 3.38Å; C818-G820 PolarHBondContact O-N 2.94Å; G820-S822 VanDerWaalsContact C-N 3.32Å; G820-P830 VanDerWaalsContact O-CB 3.29Å; G820-P830 WeakPolarHBondContact O-CB 3.26Å; G820-I831 PolarHBondContact O-N 3.31Å; G820-I831 VanDerWaalsContact O-N 3.08Å; G820-F832 WeakPolarHBondContact O-CD1 3.25Å; G820-F832 PolarHBondContact O-N 3.4Å; G820-F832 VanDerWaalsContact O-N 3.17Å |
| 821 | L | 80.1 | Confident | 78.8 | Confident | 93 Ų | 93 | 67.7 Ų | 67.7 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -82.1 | -12.4 | 174.8 | -70.6 | 174.1 | 0 | 0 | 0 | 112.6 | M810 C818 I819 | M810-L821 HydrophobicContact CE-CB 4.44Å; M810-L821 HydrophobicContact CE-CD2 4.12Å; M810-L821 HydrophobicContact CE-CG 3.77Å; M810-L821 VanDerWaalsContact CE-N 3.26Å; C818-L821 HydrophobicContact CB-CD1 4.36Å; C818-L821 HydrophobicContact CB-CG 4.44Å; C818-L821 PolarHBondContact O-N 2.79Å; I819-L821 PolarHBondContact O-N 3.15Å; I819-L821 VanDerWaalsContact O-N 3.16Å |
| 822 | S | 79.3 | Confident | 78.9 | Confident | 46 Ų | 46 | 69.6 Ų | 69.6 | 32% | 0.322 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -71.7 | 139.2 | 178.4 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | I819 G820 I831 | I819-S822 WeakPolarHBondContact O-CB 3.42Å; I819-S822 PolarHBondContact O-N 3.31Å; I819-S822 PolarHBondContact O-OG 3.35Å; G820-S822 VanDerWaalsContact C-N 3.32Å; S822-I831 WeakPolarHBondContact O-CG1 3.39Å; S822-I831 PolarHBondContact O-N 3.46Å; S822-I831 VanDerWaalsContact O-N 3.09Å |
| 823 | P | 82.5 | Confident | 79.2 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 142.3 | 176.3 | 25.8 | -32.5 | 0 | 0 | 0 | 110.9 | G825 T827 | P823-G825 PolarHBondContact O-N 3.29Å; P823-T827 VanDerWaalsContact CB-O 3.22Å; P823-T827 WeakPolarHBondContact CB-O 3.23Å |
| 824 | I | 82.6 | Confident | 80 | Confident | 71 Ų | 71 | 71.1 Ų | 71.1 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -73.5 | 99.4 | 174 | -59.5 | 162 | 0 | 0 | 0 | 108.5 | K826 T827 I829 I831 P834 | I824-K826 PolarHBondContact O-N 2.86Å; I824-T827 PolarHBondContact O-N 3.25Å; I824-T827 PolarHBondContact O-OG1 3.42Å; I824-I829 HydrophobicContact CD1-CG2 4.34Å; I824-I829 WeakPolarHBondContact CG1-O 3.32Å; I824-I829 PolarHBondContact N-O 3.05Å; I824-I831 HydrophobicContact CG1-CB 4.28Å; I824-I831 HydrophobicContact CG1-CG1 3.53Å; I824-P834 HydrophobicContact CD1-CG 3.92Å |
| 825 | G | 81 | Confident | 81 | Confident | 72 Ų | 72 | 73 Ų | 73 | 74% | 0.742 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | -110.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | P823 | P823-G825 PolarHBondContact O-N 3.29Š|
| 826 | K | 82.2 | Confident | 82.4 | Confident | 217 Ų | 217 | 70.2 Ų | 70.2 | 94% | 0.943 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -1.1 | 178.3 | -63.8 | -176.6 | -179.5 | 178.4 | 0 | 113.8 | I824 | I824-K826 PolarHBondContact O-N 2.86Š|
| 827 | T | 83.8 | Confident | 83.7 | Confident | 62 Ų | 62 | 71.3 Ų | 71.3 | 38% | 0.38 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -85.2 | 146.1 | -179.7 | 66.8 | 0 | 0 | 0 | 0 | 110 | P823 I824 I829 | P823-T827 VanDerWaalsContact CB-O 3.22Å; P823-T827 WeakPolarHBondContact CB-O 3.23Å; I824-T827 PolarHBondContact O-N 3.25Å; I824-T827 PolarHBondContact O-OG1 3.42Å; T827-I829 PolarHBondContact O-N 2.98Å; T827-I829 VanDerWaalsContact O-N 3.14Å |
| 828 | P | 84 | Confident | 84.8 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 81% | 0.805 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -73.1 | 1.6 | 175.7 | 32.2 | -36.3 | 0 | 0 | 0 | 112.8 | P830 | P828-P830 WeakPolarHBondContact O-CD 3.31Š|
| 829 | I | 86 | Confident | 85.6 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 44% | 0.441 | 39% | 0.388 | S | S | . | . | trans | -82.7 | 122.5 | -174.8 | -56.8 | 173.8 | 0 | 0 | 0 | 108.7 | I824 T827 C833 | I824-I829 HydrophobicContact CD1-CG2 4.34Å; I824-I829 WeakPolarHBondContact CG1-O 3.32Å; I824-I829 PolarHBondContact N-O 3.05Å; T827-I829 PolarHBondContact O-N 2.98Å; T827-I829 VanDerWaalsContact O-N 3.14Å; I829-C833 HydrophobicContact CG2-CB 3.64Å | ||
| 830 | P | 86.9 | Confident | 86.3 | Confident | 35 Ų | 35 | 69 Ų | 69 | 23% | 0.227 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -63.6 | 149.2 | 173.4 | -22.3 | 33.4 | 0 | 0 | 0 | 112.5 | G820 P828 F832 C833 | G820-P830 VanDerWaalsContact O-CB 3.29Å; G820-P830 WeakPolarHBondContact O-CB 3.26Å; P828-P830 WeakPolarHBondContact O-CD 3.31Å; P830-F832 HydrophobicContact CB-CD1 3.52Å; P830-F832 HydrophobicContact CB-CE1 3.51Å; P830-F832 HydrophobicContact CG-CD1 4.36Å; P830-F832 HydrophobicContact CG-CE1 3.84Å; P830-F832 PolarHBondContact O-N 3.42Å; P830-F832 VanDerWaalsContact O-N 3.16Å; P830-C833 WeakPolarHBondContact O-CB 3.4Å; P830-C833 PolarHBondContact O-N 3.47Å; P830-C833 VanDerWaalsContact O-N 3.15Å |
| 831 | I | 87.3 | Confident | 87.1 | Confident | 42 Ų | 42 | 74.1 Ų | 74.1 | 22% | 0.215 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.2 | 179.4 | -71.3 | 164.9 | 0 | 0 | 0 | 112.7 | P809 I819 G820 S822 I824 C833 P834 F835 | P809-I831 HydrophobicContact CB-CG2 3.88Å; I819-I831 HydrophobicContact CG2-CD1 3.86Å; I819-I831 WeakPolarHBondContact O-CD1 3.29Å; G820-I831 PolarHBondContact O-N 3.31Å; G820-I831 VanDerWaalsContact O-N 3.08Å; S822-I831 WeakPolarHBondContact O-CG1 3.39Å; S822-I831 PolarHBondContact O-N 3.46Å; S822-I831 VanDerWaalsContact O-N 3.09Å; I824-I831 HydrophobicContact CG1-CB 4.28Å; I824-I831 HydrophobicContact CG1-CG1 3.53Å; I831-C833 VanDerWaalsContact C-N 3.33Å; I831-C833 PolarHBondContact O-N 3.36Å; I831-P834 WeakPolarHBondContact O-CD 3.28Å; I831-P834 VanDerWaalsContact O-CG 3.24Å; I831-P834 WeakPolarHBondContact O-CG 3.04Å; I831-F835 HydrophobicContact CG2-CE2 4.24Å; I831-F835 WeakPolarHBondContact O-CD2 3.44Å |
| 832 | F | 88.3 | Confident | 87.7 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 24% | 0.241 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -70.5 | -25.5 | -180 | 81.5 | -94 | 0 | 0 | 0 | 114.1 | P809 M810 G820 P830 F835 L836 | P809-F832 HydrophobicContact CG-CB 4Å; M810-F832 HydrophobicContact CE-CB 4.05Å; M810-F832 HydrophobicContact CE-CD1 3.86Å; M810-F832 HydrophobicContact CE-CG 4.23Å; M810-F832 HydrophobicContact CG-CB 4.43Å; G820-F832 WeakPolarHBondContact O-CD1 3.25Å; G820-F832 PolarHBondContact O-N 3.4Å; G820-F832 VanDerWaalsContact O-N 3.17Å; P830-F832 HydrophobicContact CB-CD1 3.52Å; P830-F832 HydrophobicContact CB-CE1 3.51Å; P830-F832 HydrophobicContact CG-CD1 4.36Å; P830-F832 HydrophobicContact CG-CE1 3.84Å; P830-F832 PolarHBondContact O-N 3.42Å; P830-F832 VanDerWaalsContact O-N 3.16Å; F832-F835 PolarHBondContact O-N 2.85Å; F832-L836 HydrophobicContact CE2-CD2 4.34Å; F832-L836 PolarHBondContact O-N 3Å |
| 833 | C | 89.4 | Confident | 88.3 | Confident | 43 Ų | 43 | 70.5 Ų | 70.5 | 29% | 0.291 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | -176.2 | -69.4 | 0 | 0 | 0 | 0 | 114.3 | I829 P830 I831 F835 L836 A837 | I829-C833 HydrophobicContact CG2-CB 3.64Å; P830-C833 WeakPolarHBondContact O-CB 3.4Å; P830-C833 PolarHBondContact O-N 3.47Å; P830-C833 VanDerWaalsContact O-N 3.15Å; I831-C833 VanDerWaalsContact C-N 3.33Å; I831-C833 PolarHBondContact O-N 3.36Å; C833-F835 VanDerWaalsContact C-N 3.29Å; C833-F835 PolarHBondContact O-N 3.19Å; C833-L836 PolarHBondContact O-N 2.92Å; C833-A837 PolarHBondContact O-N 3.47Å |
| 834 | P | 90 | Very high | 88.8 | Confident | 61 Ų | 61 | 70 Ų | 70 | 40% | 0.396 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.1 | -35.7 | 175.8 | 23 | -35.1 | 0 | 0 | 0 | 112.9 | I824 I831 A837 S838 | I824-P834 HydrophobicContact CD1-CG 3.92Å; I831-P834 WeakPolarHBondContact O-CD 3.28Å; I831-P834 VanDerWaalsContact O-CG 3.24Å; I831-P834 WeakPolarHBondContact O-CG 3.04Å; P834-A837 PolarHBondContact O-N 3.49Å; P834-S838 PolarHBondContact O-N 3.46Å |
| 835 | F | 90.1 | Very high | 89.3 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 34% | 0.342 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 175.4 | -75.2 | -95.2 | 0 | 0 | 0 | 111.4 | P805 P809 I831 F832 C833 A837 S838 G839 | P805-F835 HydrophobicContact CB-CB 4.29Å; P805-F835 HydrophobicContact CB-CD1 4.44Å; P805-F835 VanDerWaalsContact O-CB 3.27Å; P805-F835 WeakPolarHBondContact O-CB 3.42Å; P805-F835 WeakPolarHBondContact O-CD1 3.37Å; P809-F835 HydrophobicContact CG-CB 4.48Å; P809-F835 HydrophobicContact CG-CD2 3.98Å; P809-F835 HydrophobicContact CG-CE2 4.42Å; P809-F835 HydrophobicContact CG-CG 4.19Å; I831-F835 HydrophobicContact CG2-CE2 4.24Å; I831-F835 WeakPolarHBondContact O-CD2 3.44Å; F832-F835 PolarHBondContact O-N 2.85Å; C833-F835 VanDerWaalsContact C-N 3.29Å; C833-F835 PolarHBondContact O-N 3.19Å; F835-A837 PolarHBondContact O-N 2.9Å; F835-S838 PolarHBondContact O-N 2.98Å; F835-S838 PolarHBondContact O-OG 2.88Å; F835-G839 PolarHBondContact O-N 3.35Å |
| 836 | L | 91.2 | Very high | 89.7 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 35% | 0.351 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 174.6 | -177.7 | 66.2 | 0 | 0 | 0 | 111.9 | L802 A806 F832 C833 S838 G839 F840 | L802-L836 HydrophobicContact CD1-CD1 3.78Å; L802-L836 HydrophobicContact CG-CD1 4.28Å; A806-L836 HydrophobicContact CB-CB 3.99Å; A806-L836 HydrophobicContact CB-CD1 3.91Å; F832-L836 HydrophobicContact CE2-CD2 4.34Å; F832-L836 PolarHBondContact O-N 3Å; C833-L836 PolarHBondContact O-N 2.92Å; L836-S838 PolarHBondContact O-N 2.84Å; L836-G839 PolarHBondContact O-N 3.17Å; L836-F840 WeakPolarHBondContact O-CB 3.48Å; L836-F840 PolarHBondContact O-N 3.37Å |
| 837 | A | 91.9 | Very high | 90.2 | Very high | 54 Ų | 54 | 61.9 Ų | 61.9 | 45% | 0.446 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C833 P834 F835 F840 I841 | C833-A837 PolarHBondContact O-N 3.47Å; P834-A837 PolarHBondContact O-N 3.49Å; F835-A837 PolarHBondContact O-N 2.9Å; A837-F840 PolarHBondContact O-N 3.3Å; A837-I841 WeakPolarHBondContact O-CG1 3.13Å; A837-I841 PolarHBondContact O-N 2.67Å |
| 838 | S | 92 | Very high | 90.5 | Very high | 50 Ų | 50 | 66.6 Ų | 66.6 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 175 | 75.5 | 0 | 0 | 0 | 0 | 112.3 | P834 F835 L836 F840 I841 I842 | P834-S838 PolarHBondContact O-N 3.46Å; F835-S838 PolarHBondContact O-N 2.98Å; F835-S838 PolarHBondContact O-OG 2.88Å; L836-S838 PolarHBondContact O-N 2.84Å; S838-F840 VanDerWaalsContact C-N 3.34Å; S838-F840 PolarHBondContact O-N 3.01Å; S838-I841 PolarHBondContact O-N 3Å; S838-I842 WeakPolarHBondContact O-CG1 3.37Å; S838-I842 PolarHBondContact O-N 2.96Å; S838-I842 VanDerWaalsContact O-N 3.07Å |
| 839 | G | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C801 F835 L836 I842 A843 | C801-G839 CarbonylContact O-C 3.56Å; C801-G839 WeakPolarHBondContact O-CA 3.46Å; F835-G839 PolarHBondContact O-N 3.35Å; L836-G839 PolarHBondContact O-N 3.17Å; G839-I842 PolarHBondContact O-N 2.98Å; G839-A843 VanDerWaalsContact O-CB 3.23Å; G839-A843 WeakPolarHBondContact O-CB 3.24Å; G839-A843 PolarHBondContact O-N 3.31Å |
| 840 | F | 93.3 | Very high | 90.9 | Very high | 113 Ų | 113 | 60.9 Ų | 60.9 | 50% | 0.496 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.4 | -173.7 | -103.2 | 0 | 0 | 0 | 112.5 | L802 L836 A837 S838 A843 L844 | L802-F840 HydrophobicContact CD1-CB 3.82Å; L802-F840 HydrophobicContact CD1-CD2 3.97Å; L802-F840 HydrophobicContact CD1-CG 4.42Å; L836-F840 WeakPolarHBondContact O-CB 3.48Å; L836-F840 PolarHBondContact O-N 3.37Å; A837-F840 PolarHBondContact O-N 3.3Å; S838-F840 VanDerWaalsContact C-N 3.34Å; S838-F840 PolarHBondContact O-N 3.01Å; F840-A843 PolarHBondContact O-N 3.35Å; F840-L844 HydrophobicContact CD1-CD1 3.86Å; F840-L844 HydrophobicContact CD1-CG 4.39Å; F840-L844 HydrophobicContact CE1-CD1 3.39Å; F840-L844 HydrophobicContact CE1-CG 4.09Å; F840-L844 HydrophobicContact CZ-CD1 3.87Å; F840-L844 HydrophobicContact CZ-CD2 4.36Å; F840-L844 HydrophobicContact CZ-CG 4.19Å; F840-L844 WeakPolarHBondContact O-CG 3.44Å; F840-L844 PolarHBondContact O-N 3.4Å |
| 841 | I | 93.8 | Very high | 90.8 | Very high | 107 Ų | 107 | 66 Ų | 66 | 55% | 0.549 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 176.3 | -64.3 | 166.9 | 0 | 0 | 0 | 110.9 | A837 S838 L844 T845 | A837-I841 WeakPolarHBondContact O-CG1 3.13Å; A837-I841 PolarHBondContact O-N 2.67Å; S838-I841 PolarHBondContact O-N 3Å; I841-L844 PolarHBondContact O-N 3.4Å; I841-T845 WeakPolarHBondContact O-CB 3.41Å; I841-T845 PolarHBondContact O-N 2.9Å; I841-T845 PolarHBondContact O-OG1 3.02Å |
| 842 | I | 92.5 | Very high | 90.3 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 29% | 0.292 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 176.7 | -66.5 | 167.7 | 0 | 0 | 0 | 110.3 | C801 S838 G839 L844 T845 V846 F863 | C801-I842 HydrophobicContact CB-CG2 3.98Å; S838-I842 WeakPolarHBondContact O-CG1 3.37Å; S838-I842 PolarHBondContact O-N 2.96Å; S838-I842 VanDerWaalsContact O-N 3.07Å; G839-I842 PolarHBondContact O-N 2.98Å; I842-L844 PolarHBondContact O-N 2.98Å; I842-T845 PolarHBondContact O-N 3.36Å; I842-V846 HydrophobicContact CG2-CG2 4.34Å; I842-V846 WeakPolarHBondContact O-CG2 3.45Å; I842-V846 PolarHBondContact O-N 3.39Å; I842-F863 HydrophobicContact CG2-CE1 4.16Å; I842-F863 HydrophobicContact CG2-CZ 3.73Å |
| 843 | A | 93.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 68.8 Ų | 68.8 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V798 C801 L802 G839 F840 V846 F847 | V798-A843 HydrophobicContact CG1-CB 4.22Å; C801-A843 HydrophobicContact CB-CB 3.98Å; L802-A843 HydrophobicContact CB-CB 4.17Å; G839-A843 VanDerWaalsContact O-CB 3.23Å; G839-A843 WeakPolarHBondContact O-CB 3.24Å; G839-A843 PolarHBondContact O-N 3.31Å; F840-A843 PolarHBondContact O-N 3.35Å; A843-V846 PolarHBondContact O-N 3.1Å; A843-F847 VanDerWaalsContact O-CB 3.22Å; A843-F847 WeakPolarHBondContact O-CB 3.11Å; A843-F847 PolarHBondContact O-N 3Å |
| 844 | L | 93.6 | Very high | 89.3 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 37% | 0.366 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 174 | -73.7 | 178.3 | 0 | 0 | 0 | 111.8 | F840 I841 I842 V846 F847 F848 | F840-L844 HydrophobicContact CD1-CD1 3.86Å; F840-L844 HydrophobicContact CD1-CG 4.39Å; F840-L844 HydrophobicContact CE1-CD1 3.39Å; F840-L844 HydrophobicContact CE1-CG 4.09Å; F840-L844 HydrophobicContact CZ-CD1 3.87Å; F840-L844 HydrophobicContact CZ-CD2 4.36Å; F840-L844 HydrophobicContact CZ-CG 4.19Å; F840-L844 WeakPolarHBondContact O-CG 3.44Å; F840-L844 PolarHBondContact O-N 3.4Å; I841-L844 PolarHBondContact O-N 3.4Å; I842-L844 PolarHBondContact O-N 2.98Å; L844-V846 PolarHBondContact O-N 3.43Å; L844-F847 PolarHBondContact O-N 3.19Å; L844-F848 HydrophobicContact CD2-CE2 4.32Å; L844-F848 WeakPolarHBondContact O-CD2 3.27Å; L844-F848 PolarHBondContact O-N 3.01Å |
| 845 | T | 91.5 | Very high | 89 | Confident | 78 Ų | 78 | 71.1 Ų | 71.1 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 179.2 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | I841 I842 T849 | I841-T845 WeakPolarHBondContact O-CB 3.41Å; I841-T845 PolarHBondContact O-N 2.9Å; I841-T845 PolarHBondContact O-OG1 3.02Å; I842-T845 PolarHBondContact O-N 3.36Å; T845-T849 HydrophobicContact CG2-CG2 4.28Å; T845-T849 WeakPolarHBondContact O-CB 3.19Å; T845-T849 WeakPolarHBondContact O-CG2 3.39Å; T845-T849 PolarHBondContact O-N 3.12Å; T845-T849 PolarHBondContact O-OG1 2.97Å |
| 846 | V | 90.6 | Very high | 88.7 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 176.3 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | W792 V798 I842 A843 L844 F848 T849 S850 Y859 F864 | W792-V846 HydrophobicContact CH2-CG1 3.94Å; V798-V846 HydrophobicContact CG2-CG1 4Å; I842-V846 HydrophobicContact CG2-CG2 4.34Å; I842-V846 WeakPolarHBondContact O-CG2 3.45Å; I842-V846 PolarHBondContact O-N 3.39Å; A843-V846 PolarHBondContact O-N 3.1Å; L844-V846 PolarHBondContact O-N 3.43Å; V846-F848 VanDerWaalsContact C-N 3.35Å; V846-F848 PolarHBondContact O-N 2.91Å; V846-T849 PolarHBondContact O-N 3.38Å; V846-S850 WeakPolarHBondContact O-CB 3.5Å; V846-S850 PolarHBondContact O-N 3.14Å; V846-S850 PolarHBondContact O-OG 3.14Å; V846-Y859 HydrophobicContact CG2-CE2 4.35Å; V846-F864 HydrophobicContact CG1-CZ 4.23Å; V846-F864 HydrophobicContact CG2-CZ 4.48Å |
| 847 | F | 91.3 | Very high | 87.9 | Confident | 103 Ų | 103 | 76.1 Ų | 76.1 | 45% | 0.452 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 179.9 | -178.7 | -96.5 | 0 | 0 | 0 | 112.5 | K794 V798 A843 L844 | K794-F847 WeakPolarHBondContact CE-O 3.2Å; K794-F847 PolarHBondContact NZ-O 2.87Å; V798-F847 HydrophobicContact CG1-CB 4.28Å; V798-F847 HydrophobicContact CG1-CD2 4.38Å; V798-F847 HydrophobicContact CG2-CB 4.18Å; V798-F847 HydrophobicContact CG2-CD2 4.38Å; A843-F847 VanDerWaalsContact O-CB 3.22Å; A843-F847 WeakPolarHBondContact O-CB 3.11Å; A843-F847 PolarHBondContact O-N 3Å; L844-F847 PolarHBondContact O-N 3.19Å |
| 848 | F | 91.5 | Very high | 87.2 | Confident | 161 Ų | 161 | 81.9 Ų | 81.9 | 71% | 0.706 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -81.4 | -33.8 | 179.3 | -71.9 | -64.9 | 0 | 0 | 0 | 113.9 | L844 V846 | L844-F848 HydrophobicContact CD2-CE2 4.32Å; L844-F848 WeakPolarHBondContact O-CD2 3.27Å; L844-F848 PolarHBondContact O-N 3.01Å; V846-F848 VanDerWaalsContact C-N 3.35Å; V846-F848 PolarHBondContact O-N 2.91Å |
| 849 | T | 89.1 | Confident | 86.8 | Confident | 84 Ų | 84 | 82.5 Ų | 82.5 | 52% | 0.515 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -84.2 | -16.2 | -177.3 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | T845 V846 Y859 | T845-T849 HydrophobicContact CG2-CG2 4.28Å; T845-T849 WeakPolarHBondContact O-CB 3.19Å; T845-T849 WeakPolarHBondContact O-CG2 3.39Å; T845-T849 PolarHBondContact O-N 3.12Å; T845-T849 PolarHBondContact O-OG1 2.97Å; V846-T849 PolarHBondContact O-N 3.38Å; T849-Y859 PolarHBondContact OG1-OH 3.01Å |
| 850 | S | 88.4 | Confident | 86.3 | Confident | 7 Ų | 7 | 82.7 Ų | 82.7 | 5% | 0.049 | 39% | 0.388 | C | S | . | . | trans | -106.6 | 146.8 | -174 | 70.2 | 0 | 0 | 0 | 0 | 114.2 | W792 K794 V846 | W792-S850 VanDerWaalsContact CZ2-CB 3.5Å; K794-S850 PolarHBondContact NZ-O 2.9Å; V846-S850 WeakPolarHBondContact O-CB 3.5Å; V846-S850 PolarHBondContact O-N 3.14Å; V846-S850 PolarHBondContact O-OG 3.14Å | ||
| 851 | K | 84.4 | Confident | 85.9 | Confident | 143 Ų | 143 | 83.1 Ų | 83.1 | 62% | 0.622 | 39% | 0.386 | S | S | * | . | trans | -97.7 | 154.7 | 168.1 | -63.4 | -175.6 | 179.3 | -179.4 | 0 | 109.9 | W792 N853 | W792-K851 PolarHBondContact NE1-O 3.1Å; K851-N853 WeakPolarHBondContact CB-OD1 3.37Å | ||
| 852 | W | 78.3 | Confident | 85.6 | Confident | 96 Ų | 96 | 80.7 Ų | 80.7 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -78.8 | -32 | -178.6 | 77.2 | -84 | 0 | 0 | 0 | 112.8 | V674 K794 | V674-W852 HydrophobicContact CB-CE3 4.42Å; V674-W852 HydrophobicContact CG2-CB 4Å; V674-W852 HydrophobicContact CG2-CD2 3.49Å; V674-W852 VanDerWaalsContact CG2-CD2 3.49Å; V674-W852 HydrophobicContact CG2-CE3 3.64Å; V674-W852 HydrophobicContact CG2-CG 3.67Å; V674-W852 HydrophobicContact CG2-CZ3 4.27Å; K794-W852 HydrophobicContact CB-CB 4.2Å; K794-W852 HydrophobicContact CD-CB 4.21Å |
| 853 | N | 78.1 | Confident | 85.6 | Confident | 58 Ų | 58 | 81.1 Ų | 81.1 | 31% | 0.31 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -89.6 | -6.9 | -173.5 | 62.4 | -23.5 | 0 | 0 | 0 | 114.3 | M789 K851 | M789-N853 WeakPolarHBondContact CE-O 3.07Å; K851-N853 WeakPolarHBondContact CB-OD1 3.37Å |
| 854 | Q | 79.1 | Confident | 85.6 | Confident | 123 Ų | 123 | 80.9 Ų | 80.9 | 58% | 0.575 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -143.9 | 133.2 | 179.9 | -68.7 | -178.2 | -5.1 | 0 | 0 | 110.7 | ||
| 855 | P | 82.2 | Confident | 85.5 | Confident | 31 Ų | 31 | 77.5 Ų | 77.5 | 20% | 0.201 | 36% | 0.357 | C | S | . | . | trans | -68.3 | 138.6 | 176.2 | 27.1 | -33.3 | 0 | 0 | 0 | 111 | W792 R857 H860 | W792-P855 HydrophobicContact CB-CB 3.86Å; W792-P855 HydrophobicContact CG-CB 4.02Å; P855-R857 PolarHBondContact O-N 3.04Å; P855-H860 HydrophobicContact CB-CB 4.49Å | ||
| 856 | P | 83.3 | Confident | 85.5 | Confident | 20 Ų | 20 | 76.4 Ų | 76.4 | 13% | 0.13 | 35% | 0.351 | C | S | . | . | trans | -69.9 | 102.1 | 179.4 | 23.1 | -28.6 | 0 | 0 | 0 | 111.9 | W792 H858 Y859 H860 | W792-P856 HydrophobicContact CH2-CG 4.03Å; W792-P856 HydrophobicContact CZ2-CG 4.34Å; W792-P856 HydrophobicContact CZ3-CG 4.12Å; P856-H858 VanDerWaalsContact C-N 3.27Å; P856-H858 PolarHBondContact O-N 2.73Å; P856-Y859 HydrophobicContact CB-CD1 4.22Å; P856-Y859 HydrophobicContact CB-CD2 4.35Å; P856-Y859 HydrophobicContact CB-CE1 3.63Å; P856-Y859 HydrophobicContact CB-CE2 3.75Å; P856-Y859 HydrophobicContact CG-CD2 4.05Å; P856-Y859 HydrophobicContact CG-CE1 4.19Å; P856-Y859 HydrophobicContact CG-CE2 3.34Å; P856-Y859 VanDerWaalsContact CG-CZ 3.44Å; P856-Y859 PolarHBondContact O-N 3.22Å; P856-H860 HydrophobicContact CG-CB 3.96Å; P856-H860 WeakPolarHBondContact O-CA 3.29Å; P856-H860 WeakPolarHBondContact O-CB 3.4Å; P856-H860 PolarHBondContact O-N 2.51Å | ||
| 857 | R | 75.6 | Confident | 85.6 | Confident | 229 Ų | 229 | 77.1 Ų | 77.1 | 86% | 0.864 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -36.1 | -171 | -69.2 | -176.1 | 175.1 | 175.3 | -1.5 | 116.2 | P855 | P855-R857 PolarHBondContact O-N 3.04Š|
| 858 | H | 77.2 | Confident | 85.7 | Confident | 176 Ų | 176 | 72.2 Ų | 72.2 | 82% | 0.815 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -39 | -167.7 | -67.3 | 54.7 | 0 | 0 | 0 | 113.1 | P856 | P856-H858 VanDerWaalsContact C-N 3.27Å; P856-H858 PolarHBondContact O-N 2.73Å |
| 859 | Y | 82.8 | Confident | 85.8 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 25% | 0.247 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -19.6 | -176.2 | 62.2 | -100.4 | 0 | 0 | 0 | 113.2 | V846 T849 P856 R861 P862 F863 F864 | V846-Y859 HydrophobicContact CG2-CE2 4.35Å; T849-Y859 PolarHBondContact OG1-OH 3.01Å; P856-Y859 HydrophobicContact CB-CD1 4.22Å; P856-Y859 HydrophobicContact CB-CD2 4.35Å; P856-Y859 HydrophobicContact CB-CE1 3.63Å; P856-Y859 HydrophobicContact CB-CE2 3.75Å; P856-Y859 HydrophobicContact CG-CD2 4.05Å; P856-Y859 HydrophobicContact CG-CE1 4.19Å; P856-Y859 HydrophobicContact CG-CE2 3.34Å; P856-Y859 VanDerWaalsContact CG-CZ 3.44Å; P856-Y859 PolarHBondContact O-N 3.22Å; Y859-R861 PolarHBondContact O-N 3.01Å; Y859-P862 WeakPolarHBondContact O-CD 3.25Å; Y859-F863 WeakPolarHBondContact O-CB 3.35Å; Y859-F863 PolarHBondContact O-N 3.47Å; Y859-F864 HydrophobicContact CD2-CE2 4.22Å; Y859-F864 HydrophobicContact CE2-CE2 4.15Å |
| 860 | H | 81.9 | Confident | 86 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -50.7 | -59.1 | -173.5 | -179.6 | -114.1 | 0 | 0 | 0 | 112.4 | W792 P855 P856 F864 | W792-H860 AromaticContact CE3-CD2 3.24Å; W792-H860 AromaticContact CE3-NE2 3.45Å; W792-H860 AromaticContact CZ3-CD2 3.84Å; P855-H860 HydrophobicContact CB-CB 4.49Å; P856-H860 HydrophobicContact CG-CB 3.96Å; P856-H860 WeakPolarHBondContact O-CA 3.29Å; P856-H860 WeakPolarHBondContact O-CB 3.4Å; P856-H860 PolarHBondContact O-N 2.51Å; H860-F864 AromaticContact CD2-CD2 3.72Å; H860-F864 WeakPolarHBondContact O-CB 3.49Å; H860-F864 WeakPolarHBondContact O-CD2 3.42Å; H860-F864 PolarHBondContact O-N 3.13Å; H860-F864 VanDerWaalsContact O-N 3.17Å |
| 861 | R | 85.2 | Confident | 86.3 | Confident | 122 Ų | 122 | 63.6 Ų | 63.6 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -63 | -61.8 | -175.7 | -66.8 | -176.4 | 175.9 | 165.5 | 2.6 | 112.8 | E720 H790 Y859 F863 A865 | E720-R861 VanDerWaalsContact OE1-CD 3.24Å; E720-R861 WeakPolarHBondContact OE1-CD 3.22Å; E720-R861 WeakPolarHBondContact OE1-CG 3.44Å; E720-R861 IonicContact OE1-CZ 3.65Å; E720-R861 IonicContact OE1-NE 3.37Å; E720-R861 PolarHBondContact OE1-NE 3.13Å; E720-R861 VanDerWaalsContact OE1-NE 3.08Å; H790-R861 PolarHBondContact NE2-NH2 3Å; Y859-R861 PolarHBondContact O-N 3.01Å; R861-F863 PolarHBondContact O-N 3.23Å; R861-A865 WeakPolarHBondContact O-CB 3.03Å; R861-A865 PolarHBondContact O-N 2.96Å; R861-A865 VanDerWaalsContact O-N 3.1Å |
| 862 | P | 88.3 | Confident | 86.7 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -66.4 | -41.2 | -174.5 | 25.9 | -34.6 | 0 | 0 | 0 | 113 | Y859 T866 | Y859-P862 WeakPolarHBondContact O-CD 3.25Å; P862-T866 VanDerWaalsContact O-CB 3.28Å; P862-T866 WeakPolarHBondContact O-CB 3.24Å; P862-T866 PolarHBondContact O-N 3.18Å; P862-T866 VanDerWaalsContact O-N 3.1Å; P862-T866 PolarHBondContact O-OG1 3.4Å |
| 863 | F | 92 | Very high | 87.3 | Confident | 66 Ų | 66 | 53 Ų | 53 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -72 | -53 | -174 | 178.5 | -107.8 | 0 | 0 | 0 | 112 | I842 Y859 R861 T866 L867 | I842-F863 HydrophobicContact CG2-CE1 4.16Å; I842-F863 HydrophobicContact CG2-CZ 3.73Å; Y859-F863 WeakPolarHBondContact O-CB 3.35Å; Y859-F863 PolarHBondContact O-N 3.47Å; R861-F863 PolarHBondContact O-N 3.23Å; F863-T866 PolarHBondContact O-N 3.33Å; F863-L867 HydrophobicContact CD1-CD1 3.99Å; F863-L867 HydrophobicContact CE1-CD1 3.36Å; F863-L867 HydrophobicContact CE1-CG 4.38Å; F863-L867 HydrophobicContact CE2-CD1 3.96Å; F863-L867 HydrophobicContact CE2-CG 4.28Å; F863-L867 HydrophobicContact CZ-CD1 3.34Å; F863-L867 HydrophobicContact CZ-CG 4.15Å; F863-L867 PolarHBondContact O-N 2.84Å |
| 864 | F | 92.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -72.3 | -32.3 | -178.5 | -70.2 | -78.4 | 0 | 0 | 0 | 112.2 | P716 V718 W792 N797 V846 Y859 H860 T866 L867 G868 | P716-F864 HydrophobicContact CB-CB 4.38Å; P716-F864 HydrophobicContact CB-CD1 3.88Å; P716-F864 HydrophobicContact CG-CD1 4.42Å; V718-F864 HydrophobicContact CG2-CB 3.59Å; W792-F864 HydrophobicContact CE3-CE2 4.45Å; W792-F864 HydrophobicContact CH2-CE2 4.43Å; W792-F864 HydrophobicContact CH2-CZ 4.46Å; W792-F864 HydrophobicContact CZ3-CD2 4.33Å; W792-F864 AromaticContact CZ3-CE2 3.58Å; W792-F864 HydrophobicContact CZ3-CE2 3.58Å; W792-F864 AromaticContact CZ3-CZ 3.8Å; W792-F864 HydrophobicContact CZ3-CZ 3.8Å; N797-F864 HydrophobicContact CB-CE1 3.8Å; N797-F864 HydrophobicContact CB-CZ 4.02Å; V846-F864 HydrophobicContact CG1-CZ 4.23Å; V846-F864 HydrophobicContact CG2-CZ 4.48Å; Y859-F864 HydrophobicContact CD2-CE2 4.22Å; Y859-F864 HydrophobicContact CE2-CE2 4.15Å; H860-F864 AromaticContact CD2-CD2 3.72Å; H860-F864 WeakPolarHBondContact O-CB 3.49Å; H860-F864 WeakPolarHBondContact O-CD2 3.42Å; H860-F864 PolarHBondContact O-N 3.13Å; H860-F864 VanDerWaalsContact O-N 3.17Å; F864-T866 VanDerWaalsContact C-N 3.35Å; F864-L867 PolarHBondContact O-N 3.01Å; F864-G868 PolarHBondContact O-N 3.42Å |
| 865 | A | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A133 L134 V718 R861 F869 | A133-A865 HydrophobicContact CB-CB 3.64Å; L134-A865 HydrophobicContact CB-CB 4.28Å; V718-A865 HydrophobicContact CG2-CB 4.35Å; R861-A865 WeakPolarHBondContact O-CB 3.03Å; R861-A865 PolarHBondContact O-N 2.96Å; R861-A865 VanDerWaalsContact O-N 3.1Å; A865-F869 WeakPolarHBondContact O-CB 3.48Å; A865-F869 PolarHBondContact O-N 3.32Å |
| 866 | T | 92.7 | Very high | 88.8 | Confident | 55 Ų | 55 | 46 Ų | 46 | 34% | 0.337 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.1 | -44.1 | 176.5 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | L134 P862 F863 F864 F869 I870 | L134-T866 WeakPolarHBondContact CD1-OG1 3.47Å; P862-T866 VanDerWaalsContact O-CB 3.28Å; P862-T866 WeakPolarHBondContact O-CB 3.24Å; P862-T866 PolarHBondContact O-N 3.18Å; P862-T866 VanDerWaalsContact O-N 3.1Å; P862-T866 PolarHBondContact O-OG1 3.4Å; F863-T866 PolarHBondContact O-N 3.33Å; F864-T866 VanDerWaalsContact C-N 3.35Å; T866-F869 PolarHBondContact O-N 3.3Å; T866-I870 HydrophobicContact CG2-CD1 3.81Å; T866-I870 HydrophobicContact CG2-CG1 4.43Å; T866-I870 WeakPolarHBondContact O-CG1 3.5Å; T866-I870 PolarHBondContact O-N 2.93Å |
| 867 | L | 93.1 | Very high | 88.9 | Confident | 21 Ų | 21 | 46.5 Ų | 46.5 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -46 | 176.1 | -82.7 | -179.7 | 0 | 0 | 0 | 112.1 | P716 V804 W808 F863 F864 F869 I870 T871 | P716-L867 HydrophobicContact CG-CB 4.19Å; V804-L867 HydrophobicContact CG1-CD2 4.2Å; W808-L867 HydrophobicContact CH2-CD2 4.23Å; W808-L867 HydrophobicContact CZ2-CD2 4.03Å; F863-L867 HydrophobicContact CD1-CD1 3.99Å; F863-L867 HydrophobicContact CE1-CD1 3.36Å; F863-L867 HydrophobicContact CE1-CG 4.38Å; F863-L867 HydrophobicContact CE2-CD1 3.96Å; F863-L867 HydrophobicContact CE2-CG 4.28Å; F863-L867 HydrophobicContact CZ-CD1 3.34Å; F863-L867 HydrophobicContact CZ-CG 4.15Å; F863-L867 PolarHBondContact O-N 2.84Å; F864-L867 PolarHBondContact O-N 3.01Å; L867-F869 VanDerWaalsContact C-N 3.34Å; L867-F869 PolarHBondContact O-N 2.98Å; L867-I870 PolarHBondContact O-N 2.75Å; L867-T871 WeakPolarHBondContact O-CB 3.26Å; L867-T871 VanDerWaalsContact O-CG2 3.25Å; L867-T871 WeakPolarHBondContact O-CG2 3.43Å; L867-T871 PolarHBondContact O-N 3.38Å; L867-T871 PolarHBondContact O-OG1 3.01Å |
| 868 | G | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.3 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P716 F864 T871 S872 | P716-G868 WeakPolarHBondContact O-CA 3.47Å; F864-G868 PolarHBondContact O-N 3.42Å; G868-T871 VanDerWaalsContact CA-OG1 3.31Å; G868-T871 WeakPolarHBondContact CA-OG1 3.47Å; G868-T871 PolarHBondContact O-OG1 3.37Å; G868-S872 VanDerWaalsContact O-CB 3.31Å; G868-S872 WeakPolarHBondContact O-CB 3.49Å; G868-S872 PolarHBondContact O-N 3.38Å; G868-S872 PolarHBondContact O-OG 2.04Å; G868-S872 VanDerWaalsContact O-OG 3.09Å |
| 869 | F | 93.5 | Very high | 90 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.5 | -50.7 | 177.9 | -175.8 | -106.9 | 0 | 0 | 0 | 111.9 | F127 L131 L134 L149 F152 A865 T866 L867 T871 S872 I873 | F127-F869 HydrophobicContact CD2-CD2 4.3Å; F127-F869 HydrophobicContact CD2-CE2 4.16Å; F127-F869 HydrophobicContact CE2-CD2 4.1Å; F127-F869 AromaticContact CE2-CE2 3.52Å; F127-F869 HydrophobicContact CE2-CE2 3.52Å; F127-F869 HydrophobicContact CE2-CZ 4.29Å; F127-F869 HydrophobicContact CZ-CE2 4.31Å; L131-F869 HydrophobicContact CB-CD2 4.16Å; L131-F869 HydrophobicContact CB-CE2 4.1Å; L131-F869 HydrophobicContact CD1-CE2 4.13Å; L131-F869 HydrophobicContact CG-CE2 4.27Å; L134-F869 HydrophobicContact CD2-CB 3.86Å; L134-F869 HydrophobicContact CD2-CD1 3.4Å; L134-F869 HydrophobicContact CD2-CD2 4.28Å; L134-F869 HydrophobicContact CD2-CE1 3.96Å; L134-F869 HydrophobicContact CD2-CG 3.58Å; L149-F869 HydrophobicContact CB-CZ 4.31Å; L149-F869 VanDerWaalsContact O-CZ 3.32Å; L149-F869 WeakPolarHBondContact O-CZ 3.39Å; F152-F869 HydrophobicContact CD1-CE1 4.05Å; F152-F869 HydrophobicContact CD1-CZ 4.41Å; A865-F869 WeakPolarHBondContact O-CB 3.48Å; A865-F869 PolarHBondContact O-N 3.32Å; T866-F869 PolarHBondContact O-N 3.3Å; L867-F869 VanDerWaalsContact C-N 3.34Å; L867-F869 PolarHBondContact O-N 2.98Å; F869-T871 PolarHBondContact O-N 3.27Å; F869-S872 PolarHBondContact O-N 3.02Å; F869-S872 PolarHBondContact O-OG 3.33Å; F869-I873 HydrophobicContact CD1-CD1 3.89Å; F869-I873 HydrophobicContact CE1-CD1 3.45Å; F869-I873 VanDerWaalsContact CE1-CD1 3.45Å; F869-I873 HydrophobicContact CE2-CD1 4.3Å; F869-I873 HydrophobicContact CG-CD1 4.49Å; F869-I873 HydrophobicContact CZ-CD1 3.66Å; F869-I873 WeakPolarHBondContact O-CG1 3.06Å; F869-I873 PolarHBondContact O-N 3.41Å; F869-I873 VanDerWaalsContact O-N 3.13Å |
| 870 | I | 92.9 | Very high | 90 | Very high | 61 Ų | 61 | 26.1 Ų | 26.1 | 31% | 0.313 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 179.9 | -64.5 | 171.3 | 0 | 0 | 0 | 111.7 | W808 T866 L867 S872 I873 I874 | W808-I870 HydrophobicContact CH2-CB 4.36Å; W808-I870 HydrophobicContact CH2-CD1 4.44Å; W808-I870 HydrophobicContact CH2-CG2 3.71Å; W808-I870 HydrophobicContact CZ2-CB 4.01Å; W808-I870 HydrophobicContact CZ2-CG2 3.48Å; W808-I870 VanDerWaalsContact CZ2-CG2 3.48Å; W808-I870 HydrophobicContact CZ3-CG2 4.37Å; T866-I870 HydrophobicContact CG2-CD1 3.81Å; T866-I870 HydrophobicContact CG2-CG1 4.43Å; T866-I870 WeakPolarHBondContact O-CG1 3.5Å; T866-I870 PolarHBondContact O-N 2.93Å; L867-I870 PolarHBondContact O-N 2.75Å; I870-S872 VanDerWaalsContact C-N 3.33Å; I870-S872 PolarHBondContact O-N 3.01Å; I870-I873 PolarHBondContact O-N 3.17Å; I870-I874 HydrophobicContact CG2-CD1 3.99Å; I870-I874 WeakPolarHBondContact O-CG1 3.02Å; I870-I874 PolarHBondContact O-N 2.99Å; I870-I874 VanDerWaalsContact O-N 3.13Å |
| 871 | T | 93.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 176.7 | 45.1 | 0 | 0 | 0 | 0 | 112.2 | V804 W808 L867 G868 F869 I873 I874 W875 | V804-T871 HydrophobicContact CB-CG2 4.06Å; V804-T871 HydrophobicContact CG1-CG2 3.16Å; V804-T871 HydrophobicContact CG2-CG2 3.82Å; W808-T871 HydrophobicContact CZ2-CG2 4.36Å; L867-T871 WeakPolarHBondContact O-CB 3.26Å; L867-T871 VanDerWaalsContact O-CG2 3.25Å; L867-T871 WeakPolarHBondContact O-CG2 3.43Å; L867-T871 PolarHBondContact O-N 3.38Å; L867-T871 PolarHBondContact O-OG1 3.01Å; G868-T871 VanDerWaalsContact CA-OG1 3.31Å; G868-T871 WeakPolarHBondContact CA-OG1 3.47Å; G868-T871 PolarHBondContact O-OG1 3.37Å; F869-T871 PolarHBondContact O-N 3.27Å; T871-I873 VanDerWaalsContact C-N 3.33Å; T871-I873 PolarHBondContact O-N 2.89Å; T871-I874 PolarHBondContact O-N 3.42Å; T871-W875 PolarHBondContact O-N 3.31Å |
| 872 | S | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.6 | -36.9 | 177.5 | 66.7 | 0 | 0 | 0 | 0 | 112.6 | F127 G868 F869 I870 W875 I876 | F127-S872 WeakPolarHBondContact CD2-OG 3.29Å; G868-S872 VanDerWaalsContact O-CB 3.31Å; G868-S872 WeakPolarHBondContact O-CB 3.49Å; G868-S872 PolarHBondContact O-N 3.38Å; G868-S872 PolarHBondContact O-OG 2.04Å; G868-S872 VanDerWaalsContact O-OG 3.09Å; F869-S872 PolarHBondContact O-N 3.02Å; F869-S872 PolarHBondContact O-OG 3.33Å; I870-S872 VanDerWaalsContact C-N 3.33Å; I870-S872 PolarHBondContact O-N 3.01Å; S872-W875 PolarHBondContact O-N 2.94Å; S872-I876 WeakPolarHBondContact O-CB 3.37Å; S872-I876 WeakPolarHBondContact O-CG1 3.37Å; S872-I876 PolarHBondContact O-N 3.04Å |
| 873 | I | 91.1 | Very high | 90.2 | Very high | 16 Ų | 16 | 18.8 Ų | 18.8 | 8% | 0.082 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 175 | -66.9 | 170.4 | 0 | 0 | 0 | 111.6 | F127 F152 A156 F869 I870 T871 W875 I876 Y877 | F127-I873 HydrophobicContact CE2-CG1 4.26Å; F152-I873 HydrophobicContact CD1-CD1 3.72Å; F152-I873 HydrophobicContact CE1-CD1 3.67Å; A156-I873 HydrophobicContact CB-CG2 4.39Å; F869-I873 HydrophobicContact CD1-CD1 3.89Å; F869-I873 HydrophobicContact CE1-CD1 3.45Å; F869-I873 VanDerWaalsContact CE1-CD1 3.45Å; F869-I873 HydrophobicContact CE2-CD1 4.3Å; F869-I873 HydrophobicContact CG-CD1 4.49Å; F869-I873 HydrophobicContact CZ-CD1 3.66Å; F869-I873 WeakPolarHBondContact O-CG1 3.06Å; F869-I873 PolarHBondContact O-N 3.41Å; F869-I873 VanDerWaalsContact O-N 3.13Å; I870-I873 PolarHBondContact O-N 3.17Å; T871-I873 VanDerWaalsContact C-N 3.33Å; T871-I873 PolarHBondContact O-N 2.89Å; I873-W875 VanDerWaalsContact C-N 3.32Å; I873-W875 PolarHBondContact O-N 3Å; I873-I876 PolarHBondContact O-N 3.47Å; I873-Y877 WeakPolarHBondContact O-CB 3.49Å; I873-Y877 PolarHBondContact O-N 3.1Å |
| 874 | I | 90.2 | Very high | 89.8 | Confident | 22 Ų | 22 | 17 Ų | 17 | 11% | 0.113 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.3 | -39 | 179.5 | -66.5 | 166.7 | 0 | 0 | 0 | 110.7 | W808 L811 I870 T871 Y877 A878 | W808-I874 HydrophobicContact CB-CD1 3.9Å; W808-I874 HydrophobicContact CD2-CD1 3.66Å; W808-I874 HydrophobicContact CE3-CD1 4.44Å; W808-I874 HydrophobicContact CG-CD1 3.37Å; L811-I874 HydrophobicContact CB-CG2 3.7Å; L811-I874 HydrophobicContact CD1-CG2 3.97Å; I870-I874 HydrophobicContact CG2-CD1 3.99Å; I870-I874 WeakPolarHBondContact O-CG1 3.02Å; I870-I874 PolarHBondContact O-N 2.99Å; I870-I874 VanDerWaalsContact O-N 3.13Å; T871-I874 PolarHBondContact O-N 3.42Å; I874-Y877 WeakPolarHBondContact O-CB 2.97Å; I874-Y877 PolarHBondContact O-N 2.91Å; I874-A878 WeakPolarHBondContact O-CB 3.07Å; I874-A878 PolarHBondContact O-N 3.12Å |
| 875 | W | 90.7 | Very high | 89.4 | Confident | 40 Ų | 40 | 17.1 Ų | 17.1 | 15% | 0.152 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.7 | -42.3 | 172.5 | -86.9 | 115.6 | 0 | 0 | 0 | 112.7 | I122 V710 F711 T714 I715 L811 T871 S872 I873 Y877 A878 L879 | I122-W875 HydrophobicContact CD1-CB 3.22Å; I122-W875 HydrophobicContact CD1-CG 4.06Å; V710-W875 HydrophobicContact CG1-CH2 4.08Å; V710-W875 HydrophobicContact CG1-CZ2 4.04Å; F711-W875 HydrophobicContact CD1-CD2 4.23Å; F711-W875 AromaticContact CE1-CD2 3.84Å; F711-W875 HydrophobicContact CE1-CD2 3.84Å; F711-W875 AromaticContact CE1-CE3 3.78Å; F711-W875 HydrophobicContact CE1-CE3 3.78Å; F711-W875 HydrophobicContact CE1-CG 4.31Å; F711-W875 HydrophobicContact CE1-CH2 4.46Å; F711-W875 HydrophobicContact CE1-CZ3 4.1Å; T714-W875 HydrophobicContact CG2-CZ2 4.32Å; T714-W875 PolarHBondContact OG1-NE1 3.33Å; T714-W875 VanDerWaalsContact OG1-NE1 3.15Å; I715-W875 HydrophobicContact CD1-CG 4.41Å; L811-W875 HydrophobicContact CD1-CD2 3.81Å; L811-W875 HydrophobicContact CD1-CE3 4.31Å; L811-W875 HydrophobicContact CD1-CG 4.15Å; L811-W875 HydrophobicContact CD1-CZ2 4.06Å; L811-W875 HydrophobicContact CD2-CD2 4.34Å; L811-W875 HydrophobicContact CD2-CE3 4.01Å; L811-W875 HydrophobicContact CD2-CH2 3.85Å; L811-W875 HydrophobicContact CD2-CZ2 4.19Å; L811-W875 HydrophobicContact CD2-CZ3 3.76Å; T871-W875 PolarHBondContact O-N 3.31Å; S872-W875 PolarHBondContact O-N 2.94Å; I873-W875 VanDerWaalsContact C-N 3.32Å; I873-W875 PolarHBondContact O-N 3Å; W875-Y877 VanDerWaalsContact C-N 3.28Å; W875-Y877 PolarHBondContact O-N 2.67Å; W875-A878 PolarHBondContact O-N 3.1Å; W875-L879 WeakPolarHBondContact O-CB 3.46Å; W875-L879 VanDerWaalsContact O-CG 3.28Å; W875-L879 WeakPolarHBondContact O-CG 3.38Å; W875-L879 PolarHBondContact O-N 3.13Å |
| 876 | I | 89.8 | Confident | 89.2 | Confident | 5 Ų | 5 | 17.1 Ų | 17.1 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.5 | -44 | 173.8 | -75.1 | 166.6 | 0 | 0 | 0 | 110.1 | F119 I122 F127 P157 S872 I873 L879 A880 | F119-I876 HydrophobicContact CE1-CG2 4.39Å; F119-I876 HydrophobicContact CE2-CG2 4.33Å; F119-I876 HydrophobicContact CZ-CG2 3.7Å; I122-I876 HydrophobicContact CD1-CG1 4.26Å; I122-I876 HydrophobicContact CG2-CG1 4.09Å; F127-I876 HydrophobicContact CB-CD1 4.12Å; F127-I876 HydrophobicContact CD1-CD1 4.22Å; F127-I876 HydrophobicContact CD2-CD1 3.9Å; F127-I876 HydrophobicContact CE2-CD1 4.34Å; F127-I876 HydrophobicContact CG-CD1 3.82Å; P157-I876 HydrophobicContact CG-CG2 4.1Å; S872-I876 WeakPolarHBondContact O-CB 3.37Å; S872-I876 WeakPolarHBondContact O-CG1 3.37Å; S872-I876 PolarHBondContact O-N 3.04Å; I873-I876 PolarHBondContact O-N 3.47Å; I876-L879 PolarHBondContact O-N 2.82Å; I876-A880 WeakPolarHBondContact O-CB 3.28Å; I876-A880 PolarHBondContact O-N 3.44Å |
| 877 | Y | 86.6 | Confident | 89 | Confident | 30 Ų | 30 | 16 Ų | 16 | 12% | 0.118 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59 | -51.1 | 174.4 | 172.4 | -92.7 | 0 | 0 | 0 | 112.1 | P157 F160 L812 I873 I874 W875 L879 A880 H881 | P157-Y877 HydrophobicContact CB-CD2 4.06Å; F160-Y877 HydrophobicContact CB-CE2 4.19Å; L812-Y877 HydrophobicContact CD2-CD1 3.88Å; L812-Y877 HydrophobicContact CD2-CE1 3.8Å; I873-Y877 WeakPolarHBondContact O-CB 3.49Å; I873-Y877 PolarHBondContact O-N 3.1Å; I874-Y877 WeakPolarHBondContact O-CB 2.97Å; I874-Y877 PolarHBondContact O-N 2.91Å; W875-Y877 VanDerWaalsContact C-N 3.28Å; W875-Y877 PolarHBondContact O-N 2.67Å; Y877-L879 PolarHBondContact O-N 2.95Å; Y877-A880 PolarHBondContact O-N 3.41Å; Y877-H881 AromaticContact CD2-CD2 3.76Å; Y877-H881 AromaticContact CD2-NE2 3.9Å; Y877-H881 AromaticContact CE1-CD2 3.71Å; Y877-H881 AromaticContact CE2-CD2 3.37Å; Y877-H881 WeakPolarHBondContact CE2-CD2 3.48Å; Y877-H881 AromaticContact CE2-NE2 3.15Å; Y877-H881 WeakPolarHBondContact CE2-NE2 3.5Å; Y877-H881 AromaticContact CZ-CD2 3.34Å; Y877-H881 AromaticContact CZ-NE2 3.3Å; Y877-H881 VanDerWaalsContact CZ-NE2 3.3Å; Y877-H881 PolarHBondContact O-CD2 3.45Å; Y877-H881 PolarHBondContact O-N 3.14Å; Y877-H881 PolarHBondContact OH-NE2 3.42Å |
| 878 | A | 86.3 | Confident | 88.6 | Confident | 5 Ų | 5 | 16.6 Ų | 16.6 | 4% | 0.041 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.6 | -46.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | F87 L811 I874 W875 H881 E882 | F87-A878 HydrophobicContact CE2-CB 3.91Å; F87-A878 HydrophobicContact CZ-CB 4.26Å; L811-A878 HydrophobicContact CD2-CB 4.35Å; I874-A878 WeakPolarHBondContact O-CB 3.07Å; I874-A878 PolarHBondContact O-N 3.12Å; W875-A878 PolarHBondContact O-N 3.1Å; A878-H881 PolarHBondContact O-N 3.47Å; A878-E882 WeakPolarHBondContact O-CG 3.47Å; A878-E882 PolarHBondContact O-N 2.7Å; A878-E882 VanDerWaalsContact O-N 3.1Å |
| 879 | L | 88.2 | Confident | 88.3 | Confident | 15 Ų | 15 | 16.7 Ų | 16.7 | 8% | 0.079 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 178 | -69.6 | 171.5 | 0 | 0 | 0 | 112.4 | L115 A118 F119 I122 F711 W875 I876 Y877 H881 E882 L883 | L115-L879 HydrophobicContact CD2-CD2 4.09Å; A118-L879 HydrophobicContact CB-CD1 4.25Å; A118-L879 HydrophobicContact CB-CD2 4Å; F119-L879 HydrophobicContact CD2-CB 3.97Å; F119-L879 HydrophobicContact CE2-CB 4.33Å; I122-L879 HydrophobicContact CG2-CD1 4.01Å; F711-L879 HydrophobicContact CZ-CD1 3.94Å; W875-L879 WeakPolarHBondContact O-CB 3.46Å; W875-L879 VanDerWaalsContact O-CG 3.28Å; W875-L879 WeakPolarHBondContact O-CG 3.38Å; W875-L879 PolarHBondContact O-N 3.13Å; I876-L879 PolarHBondContact O-N 2.82Å; Y877-L879 PolarHBondContact O-N 2.95Å; L879-H881 VanDerWaalsContact C-N 3.34Å; L879-E882 PolarHBondContact O-N 2.9Å; L879-L883 VanDerWaalsContact O-CB 3.27Å; L879-L883 WeakPolarHBondContact O-CB 3.46Å; L879-L883 PolarHBondContact O-N 3.22Å |
| 880 | A | 84.5 | Confident | 88.1 | Confident | 20 Ų | 20 | 16.6 Ų | 16.6 | 17% | 0.165 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F119 I876 Y877 L883 V884 | F119-A880 HydrophobicContact CE2-CB 4.26Å; I876-A880 WeakPolarHBondContact O-CB 3.28Å; I876-A880 PolarHBondContact O-N 3.44Å; Y877-A880 PolarHBondContact O-N 3.41Å; A880-L883 PolarHBondContact O-N 3.09Å; A880-V884 WeakPolarHBondContact O-CB 2.98Å; A880-V884 VanDerWaalsContact O-CG2 3.24Å; A880-V884 WeakPolarHBondContact O-CG2 3.26Å; A880-V884 PolarHBondContact O-N 2.96Å |
| 881 | H | 83.1 | Confident | 87.8 | Confident | 17 Ų | 17 | 13.8 Ų | 13.8 | 8% | 0.079 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.3 | -87.1 | -71.6 | 0 | 0 | 0 | 113 | S85 S161 Y877 A878 L879 L883 V884 N885 | S85-H881 WeakPolarHBondContact CB-ND1 3.34Å; S85-H881 PolarHBondContact OG-ND1 3.25Å; S161-H881 PolarHBondContact OG-CE1 3.01Å; S161-H881 PolarHBondContact OG-NE2 3.32Å; Y877-H881 AromaticContact CD2-CD2 3.76Å; Y877-H881 AromaticContact CD2-NE2 3.9Å; Y877-H881 AromaticContact CE1-CD2 3.71Å; Y877-H881 AromaticContact CE2-CD2 3.37Å; Y877-H881 WeakPolarHBondContact CE2-CD2 3.48Å; Y877-H881 AromaticContact CE2-NE2 3.15Å; Y877-H881 WeakPolarHBondContact CE2-NE2 3.5Å; Y877-H881 AromaticContact CZ-CD2 3.34Å; Y877-H881 AromaticContact CZ-NE2 3.3Å; Y877-H881 VanDerWaalsContact CZ-NE2 3.3Å; Y877-H881 PolarHBondContact O-CD2 3.45Å; Y877-H881 PolarHBondContact O-N 3.14Å; Y877-H881 PolarHBondContact OH-NE2 3.42Å; A878-H881 PolarHBondContact O-N 3.47Å; L879-H881 VanDerWaalsContact C-N 3.34Å; H881-L883 VanDerWaalsContact C-N 3.34Å; H881-L883 PolarHBondContact O-N 2.9Å; H881-V884 PolarHBondContact O-N 2.9Å; H881-N885 WeakPolarHBondContact O-CB 3.31Å; H881-N885 PolarHBondContact O-N 3.22Å; H881-N885 PolarHBondContact O-ND2 2.89Å; H881-N885 VanDerWaalsContact O-ND2 3.13Å |
| 882 | E | 86.4 | Confident | 87.4 | Confident | 7 Ų | 7 | 13.9 Ų | 13.9 | 3% | 0.033 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 173.8 | -71.6 | -50.2 | 123 | 0 | 0 | 112.7 | G86 F87 F88 Y90 L115 A878 L879 S886 | G86-E882 WeakPolarHBondContact CA-OE1 3.42Å; F87-E882 HydrophobicContact CD2-CG 3.95Å; F87-E882 VanDerWaalsContact CD2-OE1 3.24Å; F87-E882 WeakPolarHBondContact CD2-OE1 3.39Å; F87-E882 PolarHBondContact N-OE1 3.46Å; F88-E882 WeakPolarHBondContact CD2-OE2 3.36Å; Y90-E882 WeakPolarHBondContact CE2-OE2 3.49Å; Y90-E882 VanDerWaalsContact CZ-OE2 3.23Å; Y90-E882 PolarHBondContact OH-OE2 3.07Å; L115-E882 HydrophobicContact CD1-CB 4Å; L115-E882 HydrophobicContact CD2-CB 4.11Å; A878-E882 WeakPolarHBondContact O-CG 3.47Å; A878-E882 PolarHBondContact O-N 2.7Å; A878-E882 VanDerWaalsContact O-N 3.1Å; L879-E882 PolarHBondContact O-N 2.9Å; E882-S886 VanDerWaalsContact O-CB 3.27Å; E882-S886 WeakPolarHBondContact O-CB 3.42Å; E882-S886 PolarHBondContact O-N 3.46Å; E882-S886 PolarHBondContact O-OG 3.22Å |
| 883 | L | 88.1 | Confident | 87.2 | Confident | 4 Ų | 4 | 15.2 Ų | 15.2 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63 | -48.1 | 177.8 | -176.1 | 75.6 | 0 | 0 | 0 | 111.3 | L112 L115 L116 L879 A880 H881 S886 L887 I912 | L112-L883 HydrophobicContact CD1-CD1 3.48Å; L112-L883 VanDerWaalsContact CD1-CD1 3.48Å; L112-L883 HydrophobicContact CG-CD1 4.46Å; L115-L883 HydrophobicContact CB-CD1 4.45Å; L116-L883 HydrophobicContact CD2-CD1 3.75Å; L116-L883 HydrophobicContact CD2-CD2 4.19Å; L116-L883 HydrophobicContact CG-CD1 4.03Å; L879-L883 VanDerWaalsContact O-CB 3.27Å; L879-L883 WeakPolarHBondContact O-CB 3.46Å; L879-L883 PolarHBondContact O-N 3.22Å; A880-L883 PolarHBondContact O-N 3.09Å; H881-L883 VanDerWaalsContact C-N 3.34Å; H881-L883 PolarHBondContact O-N 2.9Å; L883-S886 WeakPolarHBondContact O-CB 3.3Å; L883-S886 PolarHBondContact O-N 3.48Å; L883-L887 HydrophobicContact CG-CD1 4.18Å; L883-L887 WeakPolarHBondContact O-CG 3.43Å; L883-L887 PolarHBondContact O-N 3.41Å; L883-I912 HydrophobicContact CD2-CB 4.47Å; L883-I912 HydrophobicContact CD2-CG2 3.54Å |
| 884 | V | 84.4 | Confident | 87 | Confident | 27 Ų | 27 | 21.3 Ų | 21.3 | 16% | 0.164 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.8 | -51.1 | 179.8 | 163.9 | 0 | 0 | 0 | 0 | 110.9 | A880 H881 S886 L887 E888 M906 A909 | A880-V884 WeakPolarHBondContact O-CB 2.98Å; A880-V884 VanDerWaalsContact O-CG2 3.24Å; A880-V884 WeakPolarHBondContact O-CG2 3.26Å; A880-V884 PolarHBondContact O-N 2.96Å; H881-V884 PolarHBondContact O-N 2.9Å; V884-S886 VanDerWaalsContact C-N 3.27Å; V884-S886 PolarHBondContact O-N 3.44Å; V884-L887 PolarHBondContact O-N 3.42Å; V884-L887 VanDerWaalsContact O-N 3.13Å; V884-E888 PolarHBondContact O-N 3.27Å; V884-M906 HydrophobicContact CG1-CE 3.5Å; V884-M906 VanDerWaalsContact CG1-CE 3.5Å; V884-A909 HydrophobicContact CG2-CB 4.2Å |
| 885 | N | 84.2 | Confident | 86.7 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.7 | -34.2 | -179.7 | -65.4 | -24.2 | 0 | 0 | 0 | 112.3 | S85 G86 Y90 H881 T889 | S85-N885 PolarHBondContact OG-ND2 3.4Å; S85-N885 PolarHBondContact OG-OD1 2.76Å; G86-N885 WeakPolarHBondContact CA-ND2 2.97Å; G86-N885 PolarHBondContact N-ND2 3.07Å; Y90-N885 HydrophobicContact CD2-CB 3.79Å; Y90-N885 HydrophobicContact CE2-CB 3.86Å; H881-N885 WeakPolarHBondContact O-CB 3.31Å; H881-N885 PolarHBondContact O-N 3.22Å; H881-N885 PolarHBondContact O-ND2 2.89Å; H881-N885 VanDerWaalsContact O-ND2 3.13Å; N885-T889 WeakPolarHBondContact O-CB 3.46Å; N885-T889 PolarHBondContact O-N 3.17Å; N885-T889 VanDerWaalsContact O-N 3.09Å; N885-T889 PolarHBondContact O-OG1 3.04Å |
| 886 | S | 87.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 173.5 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | Y90 E882 L883 V884 T889 L890 | Y90-S886 WeakPolarHBondContact CE1-OG 3.25Å; Y90-S886 WeakPolarHBondContact CE2-OG 3.34Å; Y90-S886 PolarHBondContact OH-OG 3.46Å; E882-S886 VanDerWaalsContact O-CB 3.27Å; E882-S886 WeakPolarHBondContact O-CB 3.42Å; E882-S886 PolarHBondContact O-N 3.46Å; E882-S886 PolarHBondContact O-OG 3.22Å; L883-S886 WeakPolarHBondContact O-CB 3.3Å; L883-S886 PolarHBondContact O-N 3.48Å; V884-S886 VanDerWaalsContact C-N 3.27Å; V884-S886 PolarHBondContact O-N 3.44Å; S886-T889 PolarHBondContact O-N 2.98Å; S886-L890 WeakPolarHBondContact O-CG 3.46Å; S886-L890 PolarHBondContact O-N 3.3Å |
| 887 | L | 88.6 | Confident | 85.8 | Confident | 30 Ų | 30 | 29.8 Ų | 29.8 | 16% | 0.157 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70 | -38.9 | -179.7 | -73.3 | 170.7 | 0 | 0 | 0 | 112.6 | L112 L883 V884 T889 L890 G891 V905 A909 | L112-L887 HydrophobicContact CD1-CD2 4.05Å; L112-L887 HydrophobicContact CD1-CG 4.03Å; L112-L887 HydrophobicContact CD2-CD2 3.92Å; L883-L887 HydrophobicContact CG-CD1 4.18Å; L883-L887 WeakPolarHBondContact O-CG 3.43Å; L883-L887 PolarHBondContact O-N 3.41Å; V884-L887 PolarHBondContact O-N 3.42Å; V884-L887 VanDerWaalsContact O-N 3.13Å; L887-T889 VanDerWaalsContact C-N 3.33Å; L887-T889 PolarHBondContact O-N 3.41Å; L887-L890 PolarHBondContact O-N 3.13Å; L887-G891 PolarHBondContact O-N 3.13Å; L887-V905 HydrophobicContact CB-CG1 4.28Å; L887-V905 HydrophobicContact CD1-CG1 4.23Å; L887-V905 HydrophobicContact CD2-CG1 4.05Å; L887-V905 HydrophobicContact CG-CG1 4.43Å; L887-A909 HydrophobicContact CD1-CB 3.44Å; L887-A909 VanDerWaalsContact CD1-CB 3.44Å |
| 888 | E | 84.5 | Confident | 85 | Confident | 34 Ų | 34 | 32.6 Ų | 32.6 | 16% | 0.159 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 173.5 | -73.5 | -169.3 | 166.3 | 0 | 0 | 111.4 | F83 V884 G891 I892 M906 | F83-E888 WeakPolarHBondContact CD1-OE2 3.29Å; F83-E888 WeakPolarHBondContact CE1-OE2 3.27Å; F83-E888 HydrophobicContact CZ-CB 4.34Å; V884-E888 PolarHBondContact O-N 3.27Å; E888-G891 PolarHBondContact O-N 3.22Å; E888-I892 WeakPolarHBondContact O-CG1 3.4Å; E888-I892 PolarHBondContact O-N 2.79Å; E888-M906 HydrophobicContact CG-CE 3.48Å; E888-M906 VanDerWaalsContact CG-CE 3.48Å; E888-M906 HydrophobicContact CG-SD 3.5Å; E888-M906 WeakPolarHBondContact CG-SD 3.44Å; E888-M906 WeakPolarHBondContact OE1-CE 3.21Å |
| 889 | T | 87.1 | Confident | 84.1 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 176.9 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | Y90 L91 N885 S886 L887 G891 I892 V893 | Y90-T889 VanDerWaalsContact CB-OG1 3.29Å; Y90-T889 WeakPolarHBondContact CB-OG1 3.14Å; L91-T889 HydrophobicContact CD2-CG2 3.98Å; L91-T889 HydrophobicContact CG-CG2 4.23Å; N885-T889 WeakPolarHBondContact O-CB 3.46Å; N885-T889 PolarHBondContact O-N 3.17Å; N885-T889 VanDerWaalsContact O-N 3.09Å; N885-T889 PolarHBondContact O-OG1 3.04Å; S886-T889 PolarHBondContact O-N 2.98Å; L887-T889 VanDerWaalsContact C-N 3.33Å; L887-T889 PolarHBondContact O-N 3.41Å; T889-G891 VanDerWaalsContact C-N 3.27Å; T889-G891 PolarHBondContact O-N 3.23Å; T889-I892 PolarHBondContact O-N 2.76Å; T889-V893 HydrophobicContact CG2-CG2 4.39Å; T889-V893 VanDerWaalsContact O-CG2 3.25Å; T889-V893 WeakPolarHBondContact O-CG2 3.4Å; T889-V893 PolarHBondContact O-N 3.32Å |
| 890 | L | 89.1 | Confident | 83.3 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -37.7 | 175 | -73.7 | 173.5 | 0 | 0 | 0 | 111.9 | M108 L112 S886 L887 I892 V893 W894 | M108-L890 HydrophobicContact CB-CD2 4.32Å; L112-L890 HydrophobicContact CD2-CD1 4.29Å; S886-L890 WeakPolarHBondContact O-CG 3.46Å; S886-L890 PolarHBondContact O-N 3.3Å; L887-L890 PolarHBondContact O-N 3.13Å; L890-I892 PolarHBondContact O-N 3.26Å; L890-V893 PolarHBondContact O-N 3.17Å; L890-W894 HydrophobicContact CB-CE3 4.36Å; L890-W894 HydrophobicContact CB-CZ3 4.37Å; L890-W894 WeakPolarHBondContact O-CB 3.15Å; L890-W894 PolarHBondContact O-N 3.3Å |
| 891 | G | 87.1 | Confident | 83 | Confident | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.6 | -38.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L887 E888 T889 E895 I896 | L887-G891 PolarHBondContact O-N 3.13Å; E888-G891 PolarHBondContact O-N 3.22Å; T889-G891 VanDerWaalsContact C-N 3.27Å; T889-G891 PolarHBondContact O-N 3.23Å; G891-E895 PolarHBondContact O-N 2.92Å; G891-I896 PolarHBondContact O-N 2.91Å; G891-I896 VanDerWaalsContact O-N 3.13Å |
| 892 | I | 85.5 | Confident | 82.3 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.6 | -42.7 | 173.4 | -65.5 | 167.6 | 0 | 0 | 0 | 110.7 | F62 F83 L91 E888 T889 L890 E895 | F62-I892 HydrophobicContact CD2-CG2 4.07Å; F83-I892 HydrophobicContact CE2-CD1 4.35Å; F83-I892 HydrophobicContact CZ-CD1 3.9Å; L91-I892 HydrophobicContact CD2-CD1 4.33Å; L91-I892 HydrophobicContact CD2-CG2 4.41Å; E888-I892 WeakPolarHBondContact O-CG1 3.4Å; E888-I892 PolarHBondContact O-N 2.79Å; T889-I892 PolarHBondContact O-N 2.76Å; L890-I892 PolarHBondContact O-N 3.26Å; I892-E895 PolarHBondContact O-N 3.46Å |
| 893 | V | 87.4 | Confident | 81.4 | Confident | 28 Ų | 28 | 38.1 Ų | 38.1 | 17% | 0.17 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | -178.8 | 172.5 | 0 | 0 | 0 | 0 | 112.4 | Q94 T105 T889 L890 E895 | Q94-V893 HydrophobicContact CG-CG2 3.54Å; T105-V893 HydrophobicContact CG2-CG1 3.75Å; T889-V893 HydrophobicContact CG2-CG2 4.39Å; T889-V893 VanDerWaalsContact O-CG2 3.25Å; T889-V893 WeakPolarHBondContact O-CG2 3.4Å; T889-V893 PolarHBondContact O-N 3.32Å; L890-V893 PolarHBondContact O-N 3.17Å; V893-E895 VanDerWaalsContact C-N 3.26Å; V893-E895 PolarHBondContact O-N 3.3Å |
| 894 | W | 87.6 | Confident | 80.9 | Confident | 144 Ų | 144 | 39.4 Ų | 39.4 | 55% | 0.545 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 4.6 | 176.6 | -69.8 | -28.7 | 0 | 0 | 0 | 113.8 | I109 L890 I896 | I109-W894 HydrophobicContact CD1-CZ2 4.18Å; L890-W894 HydrophobicContact CB-CE3 4.36Å; L890-W894 HydrophobicContact CB-CZ3 4.37Å; L890-W894 WeakPolarHBondContact O-CB 3.15Å; L890-W894 PolarHBondContact O-N 3.3Å; W894-I896 HydrophobicContact CB-CD1 4.13Å; W894-I896 HydrophobicContact CB-CG1 3.9Å; W894-I896 HydrophobicContact CE3-CD1 3.96Å; W894-I896 PolarHBondContact O-N 2.71Å |
| 895 | E | 83.5 | Confident | 80.8 | Confident | 139 Ų | 139 | 40.3 Ų | 40.3 | 65% | 0.65 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 30.4 | 179.7 | -60 | -179.9 | 179.9 | 0 | 0 | 113.1 | G891 I892 V893 | G891-E895 PolarHBondContact O-N 2.92Å; I892-E895 PolarHBondContact O-N 3.46Å; V893-E895 VanDerWaalsContact C-N 3.26Å; V893-E895 PolarHBondContact O-N 3.3Å |
| 896 | I | 81.9 | Confident | 80.6 | Confident | 48 Ų | 48 | 41.3 Ų | 41.3 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | trans | -65.9 | 135.8 | 177.5 | -63.2 | 175.2 | 0 | 0 | 0 | 108.1 | R59 G891 W894 I900 L901 | R59-I896 PolarHBondContact NH1-O 2.81Å; R59-I896 PolarHBondContact NH2-O 3.42Å; G891-I896 PolarHBondContact O-N 2.91Å; G891-I896 VanDerWaalsContact O-N 3.13Å; W894-I896 HydrophobicContact CB-CD1 4.13Å; W894-I896 HydrophobicContact CB-CG1 3.9Å; W894-I896 HydrophobicContact CE3-CD1 3.96Å; W894-I896 PolarHBondContact O-N 2.71Å; I896-I900 HydrophobicContact CG2-CB 4.18Å; I896-I900 HydrophobicContact CG2-CG2 4.07Å; I896-L901 HydrophobicContact CG2-CB 4.25Å | ||
| 897 | S | 79.5 | Confident | 80.2 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 40% | 0.399 | 23% | 0.227 | S | C | . | . | trans | -56.6 | 147.2 | 179.3 | 73.5 | 0 | 0 | 0 | 0 | 113 | R59 A899 I900 L901 | R59-S897 VanDerWaalsContact NH1-C 3.28Å; S897-A899 VanDerWaalsContact C-N 3.27Å; S897-A899 PolarHBondContact O-N 2.98Å; S897-I900 PolarHBondContact O-N 3.15Å; S897-I900 WeakPolarHBondContact OG-CB 3.48Å; S897-I900 VanDerWaalsContact OG-CD1 3.23Å; S897-I900 WeakPolarHBondContact OG-CD1 3.48Å; S897-I900 WeakPolarHBondContact OG-CG1 3.3Å; S897-L901 WeakPolarHBondContact O-CB 3.22Å; S897-L901 PolarHBondContact O-N 2.8Å | ||
| 898 | E | 69.5 | Low | 80.1 | Confident | 89 Ų | 89 | 44.3 Ų | 44.3 | 42% | 0.416 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -41.1 | -170.8 | -68.2 | 173.8 | -169.5 | 0 | 0 | 111.5 | S56 L901 G902 | S56-E898 VanDerWaalsContact CA-CD 3.47Å; S56-E898 WeakPolarHBondContact CA-OE1 3.19Å; S56-E898 WeakPolarHBondContact CB-OE1 3.33Å; S56-E898 WeakPolarHBondContact CB-OE2 3.39Å; E898-L901 PolarHBondContact O-N 2.92Å; E898-G902 PolarHBondContact O-N 2.64Å |
| 899 | A | 67.4 | Low | 80.1 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.8 | -35.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S897 G902 L903 E1018 | S897-A899 VanDerWaalsContact C-N 3.27Å; S897-A899 PolarHBondContact O-N 2.98Å; A899-G902 PolarHBondContact O-N 3.21Å; A899-L903 HydrophobicContact CB-CD1 4.48Å; A899-L903 VanDerWaalsContact O-CB 3.23Å; A899-L903 WeakPolarHBondContact O-CB 3.45Å; A899-L903 WeakPolarHBondContact O-CG 3.36Å; A899-L903 PolarHBondContact O-N 3.48Å; A899-E1018 HydrophobicContact CB-CB 4.37Å; A899-E1018 HydrophobicContact CB-CG 3.3Å |
| 900 | I | 72.8 | Confident | 79.9 | Confident | 59 Ų | 59 | 43.6 Ų | 43.6 | 30% | 0.303 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 173.2 | -66.8 | 172.9 | 0 | 0 | 0 | 109.2 | I896 S897 G902 S904 I1015 | I896-I900 HydrophobicContact CG2-CB 4.18Å; I896-I900 HydrophobicContact CG2-CG2 4.07Å; S897-I900 PolarHBondContact O-N 3.15Å; S897-I900 WeakPolarHBondContact OG-CB 3.48Å; S897-I900 VanDerWaalsContact OG-CD1 3.23Å; S897-I900 WeakPolarHBondContact OG-CD1 3.48Å; S897-I900 WeakPolarHBondContact OG-CG1 3.3Å; I900-G902 PolarHBondContact O-N 2.63Å; I900-S904 WeakPolarHBondContact O-CB 3.24Å; I900-S904 PolarHBondContact O-N 2.87Å; I900-S904 VanDerWaalsContact O-N 3.1Å; I900-S904 PolarHBondContact O-OG 3Å; I900-I1015 HydrophobicContact CG1-CG2 4.3Å |
| 901 | L | 76.7 | Confident | 79.9 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -58.2 | -49.6 | 176.8 | -172.8 | 74.3 | 0 | 0 | 0 | 110.8 | R59 I896 S897 E898 V905 M906 | R59-L901 VanDerWaalsContact NH2-CD2 3.35Å; I896-L901 HydrophobicContact CG2-CB 4.25Å; S897-L901 WeakPolarHBondContact O-CB 3.22Å; S897-L901 PolarHBondContact O-N 2.8Å; E898-L901 PolarHBondContact O-N 2.92Å; L901-V905 HydrophobicContact CD1-CB 3.99Å; L901-V905 HydrophobicContact CD1-CG1 4.18Å; L901-V905 HydrophobicContact CD1-CG2 4.29Å; L901-V905 PolarHBondContact O-N 3.29Å; L901-V905 VanDerWaalsContact O-N 3.09Å; L901-M906 HydrophobicContact CG-CG 4.08Å; L901-M906 VanDerWaalsContact O-CG 3.32Å; L901-M906 WeakPolarHBondContact O-CG 3.44Å; L901-M906 PolarHBondContact O-N 3.24Å |
| 902 | G | 68.9 | Low | 80 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 38% | 0.381 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -63.9 | -50.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E898 A899 I900 A907 | E898-G902 PolarHBondContact O-N 2.64Å; A899-G902 PolarHBondContact O-N 3.21Å; I900-G902 PolarHBondContact O-N 2.63Å; G902-A907 PolarHBondContact O-N 2.92Å |
| 903 | L | 67.9 | Low | 80.1 | Confident | 51 Ų | 51 | 44.8 Ų | 44.8 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -74.2 | -28.9 | -175.2 | -76.1 | 159.7 | 0 | 0 | 0 | 113.6 | A899 A1014 | A899-L903 HydrophobicContact CB-CD1 4.48Å; A899-L903 VanDerWaalsContact O-CB 3.23Å; A899-L903 WeakPolarHBondContact O-CB 3.45Å; A899-L903 WeakPolarHBondContact O-CG 3.36Å; A899-L903 PolarHBondContact O-N 3.48Å; L903-A1014 HydrophobicContact CD1-CB 4.4Å |
| 904 | S | 76.8 | Confident | 80.3 | Confident | 31 Ų | 31 | 43.6 Ų | 43.6 | 22% | 0.217 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -109.5 | -64.4 | -174.9 | 68.8 | 0 | 0 | 0 | 0 | 112.8 | I900 L908 | I900-S904 WeakPolarHBondContact O-CB 3.24Å; I900-S904 PolarHBondContact O-N 2.87Å; I900-S904 VanDerWaalsContact O-N 3.1Å; I900-S904 PolarHBondContact O-OG 3Å; S904-L908 VanDerWaalsContact O-CB 3.22Å; S904-L908 WeakPolarHBondContact O-CB 3.33Å; S904-L908 PolarHBondContact O-N 3.45Å; S904-L908 VanDerWaalsContact O-N 3.1Å |
| 905 | V | 82.5 | Confident | 80.6 | Confident | 47 Ų | 47 | 38 Ų | 38 | 29% | 0.285 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -72.7 | -44.6 | -170.9 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | L887 L901 L908 A909 | L887-V905 HydrophobicContact CB-CG1 4.28Å; L887-V905 HydrophobicContact CD1-CG1 4.23Å; L887-V905 HydrophobicContact CD2-CG1 4.05Å; L887-V905 HydrophobicContact CG-CG1 4.43Å; L901-V905 HydrophobicContact CD1-CB 3.99Å; L901-V905 HydrophobicContact CD1-CG1 4.18Å; L901-V905 HydrophobicContact CD1-CG2 4.29Å; L901-V905 PolarHBondContact O-N 3.29Å; L901-V905 VanDerWaalsContact O-N 3.09Å; V905-L908 PolarHBondContact O-N 3.24Å; V905-A909 WeakPolarHBondContact O-CB 3.33Å; V905-A909 PolarHBondContact O-N 3.2Å |
| 906 | M | 80.3 | Confident | 80.9 | Confident | 26 Ų | 26 | 33.9 Ų | 33.9 | 13% | 0.128 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -73.7 | -40.3 | -177.2 | -65.5 | -63.2 | -64.1 | 0 | 0 | 112.4 | V884 E888 L901 L908 A909 S910 | V884-M906 HydrophobicContact CG1-CE 3.5Å; V884-M906 VanDerWaalsContact CG1-CE 3.5Å; E888-M906 HydrophobicContact CG-CE 3.48Å; E888-M906 VanDerWaalsContact CG-CE 3.48Å; E888-M906 HydrophobicContact CG-SD 3.5Å; E888-M906 WeakPolarHBondContact CG-SD 3.44Å; E888-M906 WeakPolarHBondContact OE1-CE 3.21Å; L901-M906 HydrophobicContact CG-CG 4.08Å; L901-M906 VanDerWaalsContact O-CG 3.32Å; L901-M906 WeakPolarHBondContact O-CG 3.44Å; L901-M906 PolarHBondContact O-N 3.24Å; M906-L908 VanDerWaalsContact C-N 3.29Å; M906-L908 PolarHBondContact O-N 2.66Å; M906-A909 PolarHBondContact O-N 2.93Å; M906-S910 PolarHBondContact O-N 2.79Å; M906-S910 PolarHBondContact O-OG 3.08Å |
| 907 | A | 80.1 | Confident | 81.4 | Confident | 12 Ų | 12 | 31.7 Ų | 31.7 | 10% | 0.099 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L189 G902 S910 S911 | L189-A907 HydrophobicContact CD1-CB 4.39Å; L189-A907 WeakPolarHBondContact CD1-O 3.09Å; G902-A907 PolarHBondContact O-N 2.92Å; A907-S910 PolarHBondContact O-OG 3.12Å; A907-S910 VanDerWaalsContact O-OG 3.04Å; A907-S911 WeakPolarHBondContact O-CB 3.06Å; A907-S911 PolarHBondContact O-N 3.26Å; A907-S911 PolarHBondContact O-OG 2.98Å |
| 908 | L | 85.6 | Confident | 82.1 | Confident | 80 Ų | 80 | 29 Ų | 29 | 42% | 0.419 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.9 | -40.6 | 173.8 | -178.2 | 65.4 | 0 | 0 | 0 | 112 | L189 S904 V905 M906 S911 I912 I915 | L189-L908 HydrophobicContact CD1-CB 4.32Å; L189-L908 HydrophobicContact CD1-CD1 4.32Å; S904-L908 VanDerWaalsContact O-CB 3.22Å; S904-L908 WeakPolarHBondContact O-CB 3.33Å; S904-L908 PolarHBondContact O-N 3.45Å; S904-L908 VanDerWaalsContact O-N 3.1Å; V905-L908 PolarHBondContact O-N 3.24Å; M906-L908 VanDerWaalsContact C-N 3.29Å; M906-L908 PolarHBondContact O-N 2.66Å; L908-S911 CarbonylContact O-C 3.52Å; L908-S911 PolarHBondContact O-N 3.08Å; L908-I912 PolarHBondContact O-N 3.28Å; L908-I915 HydrophobicContact CD1-CD1 3.65Å |
| 909 | A | 84.4 | Confident | 83.3 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V884 L887 V905 M906 S911 I912 | V884-A909 HydrophobicContact CG2-CB 4.2Å; L887-A909 HydrophobicContact CD1-CB 3.44Å; L887-A909 VanDerWaalsContact CD1-CB 3.44Å; V905-A909 WeakPolarHBondContact O-CB 3.33Å; V905-A909 PolarHBondContact O-N 3.2Å; M906-A909 PolarHBondContact O-N 2.93Å; A909-S911 VanDerWaalsContact C-N 3.31Å; A909-S911 PolarHBondContact O-N 3.11Å; A909-I912 VanDerWaalsContact O-CG2 3.26Å; A909-I912 WeakPolarHBondContact O-CG2 3.21Å; A909-I912 PolarHBondContact O-N 2.83Å |
| 910 | S | 82.6 | Confident | 84.4 | Confident | 19 Ų | 19 | 25.4 Ų | 25.4 | 13% | 0.133 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 175.7 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | M906 A907 I912 | M906-S910 PolarHBondContact O-N 2.79Å; M906-S910 PolarHBondContact O-OG 3.08Å; A907-S910 PolarHBondContact O-OG 3.12Å; A907-S910 VanDerWaalsContact O-OG 3.04Å; S910-I912 VanDerWaalsContact C-N 3.33Å; S910-I912 PolarHBondContact O-N 3.02Å |
| 911 | S | 89.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -84.5 | -1.8 | -177.6 | -49.6 | 0 | 0 | 0 | 0 | 114.3 | L189 A907 L908 A909 G913 D914 I915 | L189-S911 VanDerWaalsContact CD2-CB 3.46Å; A907-S911 WeakPolarHBondContact O-CB 3.06Å; A907-S911 PolarHBondContact O-N 3.26Å; A907-S911 PolarHBondContact O-OG 2.98Å; L908-S911 CarbonylContact O-C 3.52Å; L908-S911 PolarHBondContact O-N 3.08Å; A909-S911 VanDerWaalsContact C-N 3.31Å; A909-S911 PolarHBondContact O-N 3.11Å; S911-G913 PolarHBondContact O-N 3.19Å; S911-D914 PolarHBondContact O-N 2.96Å; S911-D914 VanDerWaalsContact O-N 3.17Å; S911-I915 WeakPolarHBondContact O-CG1 3.49Å; S911-I915 PolarHBondContact O-N 2.91Å |
| 912 | I | 88.6 | Confident | 85.9 | Confident | 31 Ų | 31 | 22.5 Ų | 22.5 | 16% | 0.159 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.8 | -32.2 | -176.2 | -157.2 | 135.1 | 0 | 0 | 0 | 111.5 | L116 F119 L883 L908 A909 S910 I915 M916 | L116-I912 HydrophobicContact CD2-CD1 3.44Å; L116-I912 VanDerWaalsContact CD2-CD1 3.44Å; L116-I912 HydrophobicContact CD2-CG1 4.2Å; F119-I912 HydrophobicContact CD2-CG2 4.43Å; F119-I912 HydrophobicContact CE2-CG2 4.3Å; F119-I912 HydrophobicContact CZ-CG2 4.44Å; L883-I912 HydrophobicContact CD2-CB 4.47Å; L883-I912 HydrophobicContact CD2-CG2 3.54Å; L908-I912 PolarHBondContact O-N 3.28Å; A909-I912 VanDerWaalsContact O-CG2 3.26Å; A909-I912 WeakPolarHBondContact O-CG2 3.21Å; A909-I912 PolarHBondContact O-N 2.83Å; S910-I912 VanDerWaalsContact C-N 3.33Å; S910-I912 PolarHBondContact O-N 3.02Å; I912-I915 PolarHBondContact O-N 2.04Å; I912-M916 WeakPolarHBondContact O-CB 3.33Å; I912-M916 PolarHBondContact O-N 3.45Å |
| 913 | G | 87.7 | Confident | 87 | Confident | 7 Ų | 7 | 30 Ų | 30 | 7% | 0.072 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.4 | -40.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F119 S911 S917 | F119-G913 VanDerWaalsContact CZ-CA 3.41Å; S911-G913 PolarHBondContact O-N 3.19Å; G913-S917 VanDerWaalsContact O-CB 3.26Å; G913-S917 WeakPolarHBondContact O-CB 3.12Å; G913-S917 PolarHBondContact O-N 2.85Å; G913-S917 PolarHBondContact O-OG 3.45Å |
| 914 | D | 92.2 | Very high | 87.8 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 170 | -82.7 | -61.1 | 0 | 0 | 0 | 111.6 | N154 V190 T194 S911 S917 N918 S937 | N154-D914 VanDerWaalsContact CB-OD1 3.25Å; N154-D914 WeakPolarHBondContact CB-OD1 3.46Å; N154-D914 PolarHBondContact ND2-OD1 3.16Å; V190-D914 HydrophobicContact CG1-CB 4.27Å; V190-D914 HydrophobicContact CG2-CB 3.73Å; T194-D914 HydrophobicContact CG2-CB 4.42Å; T194-D914 VanDerWaalsContact CG2-O 3.27Å; T194-D914 WeakPolarHBondContact CG2-O 3.3Å; S911-D914 PolarHBondContact O-N 2.96Å; S911-D914 VanDerWaalsContact O-N 3.17Å; D914-S917 PolarHBondContact O-OG 3.34Å; D914-N918 WeakPolarHBondContact O-CB 3.05Å; D914-N918 VanDerWaalsContact O-CG 3.31Å; D914-N918 PolarHBondContact O-N 2.84Å; D914-N918 VanDerWaalsContact O-N 3.14Å; D914-N918 PolarHBondContact O-ND2 2.97Å; D914-N918 PolarHBondContact OD1-ND2 3.44Å; D914-S937 PolarHBondContact OD1-OG 2.83Å |
| 915 | I | 93.6 | Very high | 88.3 | Confident | 27 Ų | 27 | 30.3 Ų | 30.3 | 14% | 0.138 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -54.6 | 177.2 | -67.2 | 169 | 0 | 0 | 0 | 110.1 | L189 T194 L197 L908 S911 I912 C919 | L189-I915 HydrophobicContact CD2-CD1 4.17Å; T194-I915 WeakPolarHBondContact OG1-CG1 3.46Å; L197-I915 HydrophobicContact CD1-CG2 3.97Å; L908-I915 HydrophobicContact CD1-CD1 3.65Å; S911-I915 WeakPolarHBondContact O-CG1 3.49Å; S911-I915 PolarHBondContact O-N 2.91Å; I912-I915 PolarHBondContact O-N 2.04Å; I915-C919 WeakPolarHBondContact O-CB 3.01Å; I915-C919 PolarHBondContact O-N 3.37Å; I915-C919 PolarHBondContact O-SG 3.33Å |
| 916 | M | 90.9 | Very high | 88.6 | Confident | 51 Ų | 51 | 30 Ų | 30 | 25% | 0.251 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -66.3 | -53.8 | -172 | -164.9 | 60.7 | 76.5 | 0 | 0 | 111.1 | F119 A120 I912 N918 C919 L920 | F119-M916 HydrophobicContact CD1-CB 4.45Å; A120-M916 HydrophobicContact CB-CE 3.83Å; A120-M916 HydrophobicContact CB-CG 4.13Å; A120-M916 HydrophobicContact CB-SD 3.75Å; I912-M916 WeakPolarHBondContact O-CB 3.33Å; I912-M916 PolarHBondContact O-N 3.45Å; M916-N918 PolarHBondContact O-N 3.11Å; M916-C919 PolarHBondContact O-N 2.94Å; M916-L920 HydrophobicContact CG-CD1 3.74Å; M916-L920 VanDerWaalsContact O-CB 3.29Å; M916-L920 WeakPolarHBondContact O-CB 3.45Å; M916-L920 WeakPolarHBondContact O-CD1 3.39Å; M916-L920 WeakPolarHBondContact O-CG 3.4Å; M916-L920 PolarHBondContact O-N 3.26Å; M916-L920 HydrophobicContact SD-CD1 3.91Å; M916-L920 HydrophobicContact SD-CG 4.35Å |
| 917 | S | 90.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | -179.3 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | N154 G913 D914 L921 | N154-S917 PolarHBondContact ND2-OG 3.34Å; N154-S917 PolarHBondContact OD1-OG 2.9Å; G913-S917 VanDerWaalsContact O-CB 3.26Å; G913-S917 WeakPolarHBondContact O-CB 3.12Å; G913-S917 PolarHBondContact O-N 2.85Å; G913-S917 PolarHBondContact O-OG 3.45Å; D914-S917 PolarHBondContact O-OG 3.34Å; S917-L921 WeakPolarHBondContact O-CB 3.29Å; S917-L921 PolarHBondContact O-N 3.05Å |
| 918 | N | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73.9 | -37.7 | -176.6 | -66.8 | -50.6 | 0 | 0 | 0 | 112.2 | L150 T194 V198 D914 M916 L921 A922 A930 A933 | L150-N918 WeakPolarHBondContact CD2-OD1 3.38Å; T194-N918 HydrophobicContact CG2-CB 3.83Å; V198-N918 HydrophobicContact CG2-CB 3.88Å; D914-N918 WeakPolarHBondContact O-CB 3.05Å; D914-N918 VanDerWaalsContact O-CG 3.31Å; D914-N918 PolarHBondContact O-N 2.84Å; D914-N918 VanDerWaalsContact O-N 3.14Å; D914-N918 PolarHBondContact O-ND2 2.97Å; D914-N918 PolarHBondContact OD1-ND2 3.44Å; M916-N918 PolarHBondContact O-N 3.11Å; N918-L921 PolarHBondContact O-N 3.18Å; N918-A922 WeakPolarHBondContact O-CB 3.12Å; N918-A922 PolarHBondContact O-N 2.95Å; N918-A930 HydrophobicContact CB-CB 4.03Å; N918-A930 WeakPolarHBondContact O-CB 3.26Å; N918-A930 PolarHBondContact OD1-O 2.82Å; N918-A933 WeakPolarHBondContact OD1-CB 3.18Å |
| 919 | C | 94.7 | Very high | 90.1 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 12% | 0.122 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.9 | -43 | 176.7 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | L197 L201 I915 M916 A922 R923 | L197-C919 VanDerWaalsContact CB-SG 3.54Å; L201-C919 HydrophobicContact CD1-CB 3.7Å; I915-C919 WeakPolarHBondContact O-CB 3.01Å; I915-C919 PolarHBondContact O-N 3.37Å; I915-C919 PolarHBondContact O-SG 3.33Å; M916-C919 PolarHBondContact O-N 2.94Å; C919-A922 PolarHBondContact O-N 3.45Å; C919-R923 WeakPolarHBondContact O-CB 3.48Å; C919-R923 PolarHBondContact O-N 2.93Å |
| 920 | L | 90.2 | Very high | 90.6 | Very high | 23 Ų | 23 | 28.1 Ų | 28.1 | 12% | 0.12 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | 176 | -70.4 | 166.8 | 0 | 0 | 0 | 111 | D124 M916 A922 R923 N924 | D124-L920 HydrophobicContact CB-CD1 3.73Å; D124-L920 HydrophobicContact CB-CD2 4.35Å; D124-L920 HydrophobicContact CB-CG 4.49Å; M916-L920 HydrophobicContact CG-CD1 3.74Å; M916-L920 VanDerWaalsContact O-CB 3.29Å; M916-L920 WeakPolarHBondContact O-CB 3.45Å; M916-L920 WeakPolarHBondContact O-CD1 3.39Å; M916-L920 WeakPolarHBondContact O-CG 3.4Å; M916-L920 PolarHBondContact O-N 3.26Å; M916-L920 HydrophobicContact SD-CD1 3.91Å; M916-L920 HydrophobicContact SD-CG 4.35Å; L920-A922 VanDerWaalsContact C-N 3.3Å; L920-A922 PolarHBondContact O-N 2.98Å; L920-R923 WeakPolarHBondContact O-CB 3.49Å; L920-R923 PolarHBondContact O-N 3.08Å; L920-R923 VanDerWaalsContact O-N 3.11Å; L920-N924 WeakPolarHBondContact O-CB 3.37Å; L920-N924 VanDerWaalsContact O-CG 3.26Å; L920-N924 PolarHBondContact O-N 2.95Å |
| 921 | L | 89.9 | Confident | 91.2 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 176.2 | -171.5 | 65.2 | 0 | 0 | 0 | 112.4 | I132 L150 S917 N918 G925 Y926 I929 A930 | I132-L921 HydrophobicContact CD1-CD1 4.4Å; L150-L921 HydrophobicContact CD2-CD2 3.4Å; S917-L921 WeakPolarHBondContact O-CB 3.29Å; S917-L921 PolarHBondContact O-N 3.05Å; N918-L921 PolarHBondContact O-N 3.18Å; L921-G925 PolarHBondContact O-N 3.42Å; L921-Y926 HydrophobicContact CD1-CD2 3.68Å; L921-Y926 HydrophobicContact CD1-CG 4.15Å; L921-Y926 WeakPolarHBondContact O-CA 3.3Å; L921-Y926 PolarHBondContact O-N 2.84Å; L921-I929 HydrophobicContact CD2-CB 3.81Å; L921-I929 HydrophobicContact CD2-CG2 3.62Å; L921-A930 HydrophobicContact CB-CB 4.27Å; L921-A930 HydrophobicContact CD2-CB 4.28Å; L921-A930 HydrophobicContact CG-CB 4.42Å |
| 922 | A | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.6 | -39.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V198 K202 N918 C919 L920 G925 P927 A930 | V198-A922 HydrophobicContact CB-CB 4.36Å; V198-A922 HydrophobicContact CG1-CB 3.89Å; V198-A922 HydrophobicContact CG2-CB 4.26Å; K202-A922 WeakPolarHBondContact CD-O 3.45Å; N918-A922 WeakPolarHBondContact O-CB 3.12Å; N918-A922 PolarHBondContact O-N 2.95Å; C919-A922 PolarHBondContact O-N 3.45Å; L920-A922 VanDerWaalsContact C-N 3.3Å; L920-A922 PolarHBondContact O-N 2.98Å; A922-G925 PolarHBondContact O-N 3.25Å; A922-P927 HydrophobicContact CB-CB 4.15Å; A922-A930 HydrophobicContact CB-CB 4.22Å |
| 923 | R | 90.4 | Very high | 91.7 | Very high | 196 Ų | 196 | 26 Ų | 26 | 74% | 0.74 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -65.2 | -43.6 | 176.1 | -176.8 | -179.1 | 176.2 | 176.3 | -3.3 | 111.8 | C919 L920 G925 | C919-R923 WeakPolarHBondContact O-CB 3.48Å; C919-R923 PolarHBondContact O-N 2.93Å; L920-R923 WeakPolarHBondContact O-CB 3.49Å; L920-R923 PolarHBondContact O-N 3.08Å; L920-R923 VanDerWaalsContact O-N 3.11Å; R923-G925 PolarHBondContact O-N 3.19Å; R923-G925 VanDerWaalsContact O-N 3.08Å |
| 924 | N | 85.5 | Confident | 92.1 | Very high | 70 Ų | 70 | 25.7 Ų | 25.7 | 37% | 0.374 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 1.4 | 176.2 | -64.2 | -8.1 | 0 | 0 | 0 | 112.7 | D124 L920 Y926 | D124-N924 PolarHBondContact OD1-ND2 3.48Å; L920-N924 WeakPolarHBondContact O-CB 3.37Å; L920-N924 VanDerWaalsContact O-CG 3.26Å; L920-N924 PolarHBondContact O-N 2.95Å; N924-Y926 HydrophobicContact CB-CD2 4.33Å; N924-Y926 HydrophobicContact CB-CE2 4.38Å; N924-Y926 WeakPolarHBondContact O-CE2 3.22Å |
| 925 | G | 87 | Confident | 92.2 | Very high | 18 Ų | 18 | 25.7 Ų | 25.7 | 19% | 0.186 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.3 | 4.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K202 L921 A922 R923 P927 | K202-G925 PolarHBondContact NZ-O 3.24Å; L921-G925 PolarHBondContact O-N 3.42Å; A922-G925 PolarHBondContact O-N 3.25Å; R923-G925 PolarHBondContact O-N 3.19Å; R923-G925 VanDerWaalsContact O-N 3.08Å; G925-P927 WeakPolarHBondContact O-CD 3.44Å |
| 926 | Y | 89.8 | Confident | 92.3 | Very high | 40 Ų | 40 | 24.4 Ų | 24.4 | 16% | 0.157 | 11% | 0.114 | C | C | . | . | trans | -111.5 | 54.3 | -175.6 | -49 | -67.2 | 0 | 0 | 0 | 113.7 | I132 L722 L921 N924 R928 I929 A930 | I132-Y926 HydrophobicContact CD1-CD2 4.16Å; I132-Y926 HydrophobicContact CD1-CE2 3.77Å; L722-Y926 HydrophobicContact CB-CD1 4.35Å; L722-Y926 HydrophobicContact CB-CE1 3.44Å; L722-Y926 VanDerWaalsContact CB-CE1 3.44Å; L722-Y926 WeakPolarHBondContact CB-OH 3.35Å; L722-Y926 HydrophobicContact CD2-CD1 3.35Å; L722-Y926 HydrophobicContact CD2-CE1 3.31Å; L722-Y926 HydrophobicContact CD2-CG 4.23Å; L722-Y926 HydrophobicContact CG-CD1 4.33Å; L722-Y926 HydrophobicContact CG-CE1 3.8Å; L722-Y926 PolarHBondContact N-OH 3.22Å; L921-Y926 HydrophobicContact CD1-CD2 3.68Å; L921-Y926 HydrophobicContact CD1-CG 4.15Å; L921-Y926 WeakPolarHBondContact O-CA 3.3Å; L921-Y926 PolarHBondContact O-N 2.84Å; N924-Y926 HydrophobicContact CB-CD2 4.33Å; N924-Y926 HydrophobicContact CB-CE2 4.38Å; N924-Y926 WeakPolarHBondContact O-CE2 3.22Å; Y926-R928 PolarHBondContact O-N 2.92Å; Y926-I929 HydrophobicContact CG-CD1 4.45Å; Y926-I929 PolarHBondContact O-N 3.48Å; Y926-I929 VanDerWaalsContact O-N 3.15Å; Y926-A930 PolarHBondContact O-N 3.43Å | ||
| 927 | P | 93.2 | Very high | 92.4 | Very high | 7 Ų | 7 | 22 Ų | 22 | 5% | 0.045 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.8 | -22.9 | -174.6 | 32.2 | -37.5 | 0 | 0 | 0 | 112.5 | V198 K202 F204 A922 G925 Y931 | V198-P927 HydrophobicContact CG1-CB 4.38Å; K202-P927 HydrophobicContact CB-CB 4.24Å; K202-P927 HydrophobicContact CB-CG 4.36Å; K202-P927 HydrophobicContact CD-CG 3.94Å; K202-P927 HydrophobicContact CG-CB 4.46Å; K202-P927 HydrophobicContact CG-CG 4.04Å; F204-P927 HydrophobicContact CB-CB 4.27Å; F204-P927 HydrophobicContact CB-CG 3.69Å; F204-P927 HydrophobicContact CD1-CB 3.62Å; F204-P927 HydrophobicContact CD1-CG 4.02Å; F204-P927 HydrophobicContact CE1-CB 4.1Å; F204-P927 HydrophobicContact CG-CB 3.93Å; F204-P927 HydrophobicContact CG-CG 3.85Å; A922-P927 HydrophobicContact CB-CB 4.15Å; G925-P927 WeakPolarHBondContact O-CD 3.44Å; P927-Y931 WeakPolarHBondContact O-CB 3.37Å; P927-Y931 PolarHBondContact O-N 3.02Å |
| 928 | R | 91.9 | Very high | 92.6 | Very high | 70 Ų | 70 | 22 Ų | 22 | 26% | 0.264 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -65 | -43 | 174.6 | -70.7 | -174.2 | -83.2 | -157.7 | -3.1 | 111.8 | F204 D724 Y926 A932 | F204-R928 HydrophobicContact CD2-CG 3.74Å; F204-R928 HydrophobicContact CE2-CG 4.29Å; D724-R928 IonicContact OD1-CZ 3.44Å; D724-R928 IonicContact OD1-NH2 3.97Å; D724-R928 PolarHBondContact OD1-NH2 3.49Å; D724-R928 IonicContact OD2-NH2 3Å; D724-R928 PolarHBondContact OD2-NH2 3.48Å; Y926-R928 PolarHBondContact O-N 2.92Å; R928-A932 VanDerWaalsContact O-CB 3.24Å; R928-A932 WeakPolarHBondContact O-CB 3.47Å; R928-A932 PolarHBondContact O-N 3.35Å; R928-A932 VanDerWaalsContact O-N 3.11Å |
| 929 | I | 91.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.9 | -48.1 | 178.2 | -53.7 | -175.5 | 0 | 0 | 0 | 109.3 | Q142 L150 L722 L921 Y926 Y931 A932 A933 | Q142-I929 HydrophobicContact CB-CD1 3.92Å; Q142-I929 HydrophobicContact CB-CG1 3.8Å; Q142-I929 HydrophobicContact CG-CD1 4.17Å; Q142-I929 HydrophobicContact CG-CG1 4.48Å; L150-I929 HydrophobicContact CD2-CG2 4.15Å; L722-I929 HydrophobicContact CD2-CD1 3.76Å; L921-I929 HydrophobicContact CD2-CB 3.81Å; L921-I929 HydrophobicContact CD2-CG2 3.62Å; Y926-I929 HydrophobicContact CG-CD1 4.45Å; Y926-I929 PolarHBondContact O-N 3.48Å; Y926-I929 VanDerWaalsContact O-N 3.15Å; I929-Y931 PolarHBondContact O-N 3.24Å; I929-A932 PolarHBondContact O-N 3.2Å; I929-A933 PolarHBondContact O-N 3.12Å |
| 930 | A | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.5 | -50.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V198 N918 L921 A922 Y926 A932 A933 C934 | V198-A930 HydrophobicContact CG1-CB 3.97Å; V198-A930 HydrophobicContact CG2-CB 4.06Å; N918-A930 HydrophobicContact CB-CB 4.03Å; N918-A930 WeakPolarHBondContact O-CB 3.26Å; N918-A930 PolarHBondContact OD1-O 2.82Å; L921-A930 HydrophobicContact CB-CB 4.27Å; L921-A930 HydrophobicContact CD2-CB 4.28Å; L921-A930 HydrophobicContact CG-CB 4.42Å; A922-A930 HydrophobicContact CB-CB 4.22Å; Y926-A930 PolarHBondContact O-N 3.43Å; A930-A932 VanDerWaalsContact C-N 3.35Å; A930-A932 PolarHBondContact O-N 2.81Å; A930-A933 WeakPolarHBondContact O-CB 3.2Å; A930-A933 PolarHBondContact O-N 3.3Å; A930-C934 PolarHBondContact O-N 3.32Å; A930-C934 PolarHBondContact O-SG 2.82Å |
| 931 | Y | 95 | Very high | 92.9 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.8 | -33.6 | 179.6 | -172.3 | -86.8 | 0 | 0 | 0 | 112.8 | A195 I199 F204 I206 F211 P927 I929 A933 C934 L935 N984 F995 | A195-Y931 HydrophobicContact CB-CD2 4.14Å; A195-Y931 HydrophobicContact CB-CE2 3.86Å; I199-Y931 HydrophobicContact CD1-CD2 3.98Å; I199-Y931 HydrophobicContact CD1-CE2 3.5Å; I199-Y931 VanDerWaalsContact CD1-CE2 3.5Å; I199-Y931 HydrophobicContact CG1-CD2 4.02Å; I199-Y931 HydrophobicContact CG1-CE2 4.06Å; F204-Y931 HydrophobicContact CE1-CD2 4.47Å; F204-Y931 HydrophobicContact CE1-CG 4.45Å; F204-Y931 HydrophobicContact CE2-CG 4.44Å; F204-Y931 HydrophobicContact CZ-CD1 4.19Å; F204-Y931 AromaticContact CZ-CD2 3.97Å; F204-Y931 HydrophobicContact CZ-CD2 3.97Å; F204-Y931 AromaticContact CZ-CG 3.59Å; F204-Y931 HydrophobicContact CZ-CG 3.59Å; I206-Y931 HydrophobicContact CD1-CD1 3.39Å; I206-Y931 HydrophobicContact CD1-CE1 3.57Å; I206-Y931 HydrophobicContact CD1-CG 4.44Å; F211-Y931 HydrophobicContact CD2-CE1 4.01Å; F211-Y931 AromaticContact CE2-CE1 3.78Å; F211-Y931 HydrophobicContact CE2-CE1 3.78Å; P927-Y931 WeakPolarHBondContact O-CB 3.37Å; P927-Y931 PolarHBondContact O-N 3.02Å; I929-Y931 PolarHBondContact O-N 3.24Å; Y931-A933 VanDerWaalsContact C-N 3.29Å; Y931-A933 PolarHBondContact O-N 3.09Å; Y931-C934 WeakPolarHBondContact O-CB 3.1Å; Y931-C934 PolarHBondContact O-N 3.32Å; Y931-L935 HydrophobicContact CE1-CD1 4.15Å; Y931-L935 HydrophobicContact CE1-CG 4.49Å; Y931-L935 PolarHBondContact O-N 3.17Å; Y931-N984 PolarHBondContact OH-OD1 2.89Å; Y931-F995 AromaticContact CE1-CE2 3.96Å; Y931-F995 HydrophobicContact CE1-CE2 3.96Å; Y931-F995 HydrophobicContact CE1-CZ 4.44Å; Y931-F995 HydrophobicContact CE2-CE2 4.49Å; Y931-F995 AromaticContact CZ-CE2 3.89Å |
| 932 | A | 94.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 20.4 Ų | 20.4 | 5% | 0.05 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63 | -38.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V147 R928 I929 A930 L935 G936 | V147-A932 HydrophobicContact CG1-CB 3.79Å; R928-A932 VanDerWaalsContact O-CB 3.24Å; R928-A932 WeakPolarHBondContact O-CB 3.47Å; R928-A932 PolarHBondContact O-N 3.35Å; R928-A932 VanDerWaalsContact O-N 3.11Å; I929-A932 PolarHBondContact O-N 3.2Å; A930-A932 VanDerWaalsContact C-N 3.35Å; A930-A932 PolarHBondContact O-N 2.81Å; A932-L935 PolarHBondContact O-N 3.33Å; A932-G936 PolarHBondContact O-N 3.49Å |
| 933 | A | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.8 | -35.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L150 N918 I929 A930 Y931 L935 G936 S937 | L150-A933 HydrophobicContact CB-CB 3.86Å; L150-A933 HydrophobicContact CD2-CB 3.43Å; L150-A933 VanDerWaalsContact CD2-CB 3.43Å; L150-A933 HydrophobicContact CG-CB 3.44Å; L150-A933 VanDerWaalsContact CG-CB 3.44Å; N918-A933 WeakPolarHBondContact OD1-CB 3.18Å; I929-A933 PolarHBondContact O-N 3.12Å; A930-A933 WeakPolarHBondContact O-CB 3.2Å; A930-A933 PolarHBondContact O-N 3.3Å; Y931-A933 VanDerWaalsContact C-N 3.29Å; Y931-A933 PolarHBondContact O-N 3.09Å; A933-L935 PolarHBondContact O-N 2.85Å; A933-L935 VanDerWaalsContact O-N 3.08Å; A933-G936 PolarHBondContact O-N 3.34Å; A933-S937 PolarHBondContact O-N 2.85Å; A933-S937 PolarHBondContact O-OG 3.27Å; A933-S937 VanDerWaalsContact O-OG 3.06Å |
| 934 | C | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56.5 | -27.7 | 172.4 | -60.6 | 0 | 0 | 0 | 0 | 113.3 | V190 N191 A195 A930 Y931 P938 | V190-C934 HydrophobicContact CG1-CB 4.16Å; N191-C934 PolarHBondContact OD1-O 3.45Å; N191-C934 VanDerWaalsContact OD1-O 3.1Å; A195-C934 HydrophobicContact CB-CB 3.99Å; A930-C934 PolarHBondContact O-N 3.32Å; A930-C934 PolarHBondContact O-SG 2.82Å; Y931-C934 WeakPolarHBondContact O-CB 3.1Å; Y931-C934 PolarHBondContact O-N 3.32Å; C934-P938 WeakPolarHBondContact O-CD 3.32Å; C934-P938 WeakPolarHBondContact O-CG 3.34Å |
| 935 | L | 95.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 9.6 Ų | 9.6 | 1% | 0.01 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -87.5 | -38.2 | 171.5 | -64.6 | 172.6 | 0 | 0 | 0 | 112 | F211 D214 Y931 A932 A933 L939 L981 | F211-L935 HydrophobicContact CD2-CD1 3.79Å; F211-L935 HydrophobicContact CE2-CD1 4.02Å; D214-L935 HydrophobicContact CB-CD1 4.3Å; Y931-L935 HydrophobicContact CE1-CD1 4.15Å; Y931-L935 HydrophobicContact CE1-CG 4.49Å; Y931-L935 PolarHBondContact O-N 3.17Å; A932-L935 PolarHBondContact O-N 3.33Å; A933-L935 PolarHBondContact O-N 2.85Å; A933-L935 VanDerWaalsContact O-N 3.08Å; L935-L939 WeakPolarHBondContact O-CB 3.38Å; L935-L939 PolarHBondContact O-N 3.29Å; L935-L981 HydrophobicContact CD2-CD2 4.14Å |
| 936 | G | 94.8 | Very high | 94 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.01 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -71.2 | -48.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A151 A932 A933 L939 F940 | A151-G936 VanDerWaalsContact CB-C 3.46Å; A932-G936 PolarHBondContact O-N 3.49Å; A933-G936 PolarHBondContact O-N 3.34Å; G936-L939 PolarHBondContact O-N 3.07Å; G936-F940 VanDerWaalsContact O-CB 3.29Å; G936-F940 WeakPolarHBondContact O-CB 3.27Å; G936-F940 PolarHBondContact O-N 3.19Å |
| 937 | S | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | -177.2 | -36.4 | 0 | 0 | 0 | 0 | 111.3 | D914 A933 L939 F940 N941 | D914-S937 PolarHBondContact OD1-OG 2.83Å; A933-S937 PolarHBondContact O-N 2.85Å; A933-S937 PolarHBondContact O-OG 3.27Å; A933-S937 VanDerWaalsContact O-OG 3.06Å; S937-L939 VanDerWaalsContact C-N 3.34Å; S937-L939 PolarHBondContact O-N 3.47Å; S937-F940 WeakPolarHBondContact O-CB 3.43Å; S937-F940 PolarHBondContact O-N 3.33Å; S937-N941 WeakPolarHBondContact O-CB 3.41Å; S937-N941 VanDerWaalsContact O-CG 3.27Å; S937-N941 PolarHBondContact O-N 3.06Å; S937-N941 PolarHBondContact O-OD1 2.86Å |
| 938 | P | 95.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 9.6 Ų | 9.6 | 1% | 0.013 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65.4 | -34.6 | 177.5 | -27.4 | 40.3 | 0 | 0 | 0 | 114.1 | V190 Y218 C934 L942 | V190-P938 HydrophobicContact CB-CG 3.84Å; V190-P938 HydrophobicContact CG1-CG 3.74Å; Y218-P938 HydrophobicContact CE1-CB 3.78Å; Y218-P938 HydrophobicContact CE2-CB 4.49Å; Y218-P938 WeakPolarHBondContact OH-CB 3.49Å; C934-P938 WeakPolarHBondContact O-CD 3.32Å; C934-P938 WeakPolarHBondContact O-CG 3.34Å; P938-L942 VanDerWaalsContact O-CB 3.29Å; P938-L942 WeakPolarHBondContact O-CB 3.35Å; P938-L942 PolarHBondContact O-N 2.85Å |
| 939 | L | 95.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -65.9 | -42.9 | 174.4 | 177.8 | 58 | 0 | 0 | 0 | 111.4 | F217 Y218 A221 Y249 L935 G936 S937 L942 L943 | F217-L939 HydrophobicContact CB-CD2 4.26Å; Y218-L939 HydrophobicContact CD2-CB 4.19Å; Y218-L939 HydrophobicContact CD2-CD1 3.94Å; Y218-L939 HydrophobicContact CG-CB 4.23Å; Y218-L939 HydrophobicContact CG-CD1 4.34Å; A221-L939 HydrophobicContact CB-CD1 3.75Å; Y249-L939 HydrophobicContact CD1-CD2 4.21Å; Y249-L939 HydrophobicContact CD2-CD2 3.96Å; Y249-L939 HydrophobicContact CE1-CD2 3.94Å; Y249-L939 HydrophobicContact CE2-CD2 3.65Å; Y249-L939 HydrophobicContact CG-CD2 4.21Å; L935-L939 WeakPolarHBondContact O-CB 3.38Å; L935-L939 PolarHBondContact O-N 3.29Å; G936-L939 PolarHBondContact O-N 3.07Å; S937-L939 VanDerWaalsContact C-N 3.34Å; S937-L939 PolarHBondContact O-N 3.47Å; L939-L942 PolarHBondContact O-N 3.08Å; L939-L943 HydrophobicContact CD1-CD1 3.58Å; L939-L943 HydrophobicContact CD1-CG 3.94Å; L939-L943 HydrophobicContact CG-CD1 4.09Å; L939-L943 WeakPolarHBondContact O-CG 2.87Å; L939-L943 PolarHBondContact O-N 2.74Å |
| 940 | F | 95.4 | Very high | 94 | Very high | 8 Ų | 8 | 6.1 Ų | 6.1 | 4% | 0.035 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -60.5 | -50.2 | 174.3 | 172.3 | -87 | 0 | 0 | 0 | 111 | A151 F152 V159 Y246 G936 S937 L942 L943 L944 | A151-F940 HydrophobicContact CB-CB 4.42Å; F152-F940 HydrophobicContact CB-CE2 4.32Å; F152-F940 AromaticContact CD2-CE2 3.72Å; F152-F940 HydrophobicContact CD2-CE2 3.72Å; F152-F940 AromaticContact CD2-CZ 3.58Å; F152-F940 HydrophobicContact CD2-CZ 3.58Å; F152-F940 HydrophobicContact CE2-CZ 4.25Å; F152-F940 HydrophobicContact CG-CZ 4.45Å; V159-F940 HydrophobicContact CB-CE1 4.41Å; V159-F940 HydrophobicContact CG2-CD1 3.98Å; V159-F940 HydrophobicContact CG2-CE1 3.57Å; V159-F940 HydrophobicContact CG2-CZ 4.48Å; Y246-F940 AromaticContact CE2-CD2 3.72Å; Y246-F940 HydrophobicContact CE2-CD2 3.72Å; Y246-F940 HydrophobicContact CE2-CE2 4.44Å; Y246-F940 AromaticContact CZ-CD2 3.79Å; Y246-F940 WeakPolarHBondContact OH-CD2 3.32Å; G936-F940 VanDerWaalsContact O-CB 3.29Å; G936-F940 WeakPolarHBondContact O-CB 3.27Å; G936-F940 PolarHBondContact O-N 3.19Å; S937-F940 WeakPolarHBondContact O-CB 3.43Å; S937-F940 PolarHBondContact O-N 3.33Å; F940-L942 VanDerWaalsContact C-N 3.34Å; F940-L942 PolarHBondContact O-N 3.32Å; F940-L943 PolarHBondContact O-N 2.99Å; F940-L944 HydrophobicContact CD2-CD1 3.82Å; F940-L944 HydrophobicContact CE1-CD1 4.47Å; F940-L944 HydrophobicContact CE2-CD1 3.26Å; F940-L944 HydrophobicContact CE2-CG 4.34Å; F940-L944 HydrophobicContact CZ-CD1 3.62Å; F940-L944 WeakPolarHBondContact O-CB 3Å; F940-L944 PolarHBondContact O-N 3.15Å |
| 941 | N | 93.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 7.5 Ų | 7.5 | 1% | 0.011 | 4% | 0.041 | C | C | . | . | I | π-helix | trans | -59.2 | -43.5 | 177.7 | -74.6 | -0.9 | 0 | 0 | 0 | 111.8 | G155 D158 L183 S937 G945 A946 | G155-N941 VanDerWaalsContact C-OD1 3.31Å; G155-N941 WeakPolarHBondContact CA-OD1 3.33Å; G155-N941 PolarHBondContact O-OD1 2.75Å; D158-N941 PolarHBondContact OD2-ND2 2.86Å; L183-N941 HydrophobicContact CD2-CB 4.19Å; S937-N941 WeakPolarHBondContact O-CB 3.41Å; S937-N941 VanDerWaalsContact O-CG 3.27Å; S937-N941 PolarHBondContact O-N 3.06Å; S937-N941 PolarHBondContact O-OD1 2.86Å; N941-G945 WeakPolarHBondContact O-CA 3.48Å; N941-G945 PolarHBondContact O-N 3.32Å; N941-A946 PolarHBondContact O-N 3.15Å |
| 942 | L | 94.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -65.1 | -49.2 | 178 | 179.8 | 58.7 | 0 | 0 | 0 | 111.7 | L180 L184 Y218 A221 V222 A225 P938 L939 F940 A946 | L180-L942 HydrophobicContact CD1-CD1 3.79Å; L184-L942 HydrophobicContact CD2-CD1 3.84Å; L184-L942 HydrophobicContact CD2-CD2 4.02Å; L184-L942 HydrophobicContact CD2-CG 4.47Å; L184-L942 HydrophobicContact CG-CD1 4.28Å; Y218-L942 HydrophobicContact CE2-CD2 4.11Å; A221-L942 HydrophobicContact CB-CD2 3.78Å; V222-L942 HydrophobicContact CG2-CD2 3.95Å; A225-L942 HydrophobicContact CB-CD1 4.16Å; P938-L942 VanDerWaalsContact O-CB 3.29Å; P938-L942 WeakPolarHBondContact O-CB 3.35Å; P938-L942 PolarHBondContact O-N 2.85Å; L939-L942 PolarHBondContact O-N 3.08Å; F940-L942 VanDerWaalsContact C-N 3.34Å; F940-L942 PolarHBondContact O-N 3.32Å; L942-A946 WeakPolarHBondContact O-CB 3.4Å; L942-A946 PolarHBondContact O-N 3.43Å |
| 943 | L | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | I | π-helix | trans | -78.8 | -47.3 | -172.6 | -63 | 177 | 0 | 0 | 0 | 113.4 | A221 F242 F245 Y246 L939 F940 G947 | A221-L943 HydrophobicContact CB-CD2 3.83Å; A221-L943 HydrophobicContact CB-CG 4.37Å; F242-L943 HydrophobicContact CB-CD2 4.26Å; F242-L943 HydrophobicContact CD1-CD2 3.55Å; F242-L943 HydrophobicContact CE1-CD2 4.26Å; F242-L943 HydrophobicContact CG-CD2 4.25Å; F245-L943 HydrophobicContact CB-CD2 4.5Å; F245-L943 HydrophobicContact CD1-CD1 3.6Å; F245-L943 HydrophobicContact CD1-CD2 3.61Å; F245-L943 HydrophobicContact CD1-CG 4.26Å; F245-L943 HydrophobicContact CE1-CD1 4.18Å; F245-L943 HydrophobicContact CE1-CD2 4.39Å; Y246-L943 HydrophobicContact CD2-CB 4.4Å; Y246-L943 HydrophobicContact CD2-CD1 4.39Å; L939-L943 HydrophobicContact CD1-CD1 3.58Å; L939-L943 HydrophobicContact CD1-CG 3.94Å; L939-L943 HydrophobicContact CG-CD1 4.09Å; L939-L943 WeakPolarHBondContact O-CG 2.87Å; L939-L943 PolarHBondContact O-N 2.74Å; F940-L943 PolarHBondContact O-N 2.99Å; L943-G947 VanDerWaalsContact O-CA 3.29Å; L943-G947 WeakPolarHBondContact O-CA 3.33Å; L943-G947 PolarHBondContact O-N 3.41Å; L943-G947 VanDerWaalsContact O-N 3.09Å |
| 944 | L | 94.8 | Very high | 92.9 | Very high | 38 Ų | 38 | 11 Ų | 11 | 20% | 0.199 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -80.3 | -42.1 | 177.3 | -75.2 | -171.8 | 0 | 0 | 0 | 112 | V159 L243 Y246 F940 L948 | V159-L944 HydrophobicContact CG2-CB 4.38Å; L243-L944 HydrophobicContact CD2-CD2 3.68Å; Y246-L944 HydrophobicContact CD1-CD1 4.02Å; Y246-L944 HydrophobicContact CD1-CD2 3.52Å; Y246-L944 HydrophobicContact CD1-CG 3.73Å; Y246-L944 HydrophobicContact CD2-CG 4.19Å; Y246-L944 HydrophobicContact CE1-CD1 3.62Å; Y246-L944 HydrophobicContact CE1-CD2 3.97Å; Y246-L944 HydrophobicContact CE1-CG 3.87Å; Y246-L944 HydrophobicContact CE2-CD1 4.34Å; Y246-L944 HydrophobicContact CE2-CG 4.33Å; Y246-L944 HydrophobicContact CG-CD2 3.95Å; Y246-L944 HydrophobicContact CG-CG 3.89Å; F940-L944 HydrophobicContact CD2-CD1 3.82Å; F940-L944 HydrophobicContact CE1-CD1 4.47Å; F940-L944 HydrophobicContact CE2-CD1 3.26Å; F940-L944 HydrophobicContact CE2-CG 4.34Å; F940-L944 HydrophobicContact CZ-CD1 3.62Å; F940-L944 WeakPolarHBondContact O-CB 3Å; F940-L944 PolarHBondContact O-N 3.15Å; L944-L948 WeakPolarHBondContact O-CB 3.36Å; L944-L948 PolarHBondContact O-N 2.96Å |
| 945 | G | 92.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | I | π-helix | trans | -61.6 | -59.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | N941 S949 | N941-G945 WeakPolarHBondContact O-CA 3.48Å; N941-G945 PolarHBondContact O-N 3.32Å; G945-S949 WeakPolarHBondContact O-CB 3.35Å; G945-S949 PolarHBondContact O-N 3.05Å; G945-S949 VanDerWaalsContact O-N 3.1Å; G945-S949 PolarHBondContact O-OG 3.11Å |
| 946 | A | 91.1 | Very high | 92 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -66.4 | -44.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L180 L183 F242 N941 L942 L948 S949 Y950 | L180-A946 HydrophobicContact CD1-CB 4Å; L183-A946 HydrophobicContact CD1-CB 4.08Å; F242-A946 HydrophobicContact CD2-CB 4.29Å; F242-A946 HydrophobicContact CE2-CB 4.32Å; N941-A946 PolarHBondContact O-N 3.15Å; L942-A946 WeakPolarHBondContact O-CB 3.4Å; L942-A946 PolarHBondContact O-N 3.43Å; A946-L948 PolarHBondContact O-N 3.3Å; A946-S949 PolarHBondContact O-N 3.2Å; A946-Y950 HydrophobicContact CB-CD2 4.16Å; A946-Y950 HydrophobicContact CB-CE2 4.22Å; A946-Y950 WeakPolarHBondContact O-CD2 3.23Å; A946-Y950 PolarHBondContact O-N 3.29Å |
| 947 | G | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.5 | -51.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A239 L943 T951 | A239-G947 WeakPolarHBondContact O-CA 3.42Å; L943-G947 VanDerWaalsContact O-CA 3.29Å; L943-G947 WeakPolarHBondContact O-CA 3.33Å; L943-G947 PolarHBondContact O-N 3.41Å; L943-G947 VanDerWaalsContact O-N 3.09Å; G947-T951 WeakPolarHBondContact O-CB 3.18Å; G947-T951 PolarHBondContact O-N 2.7Å; G947-T951 PolarHBondContact O-OG1 3.21Å |
| 948 | L | 92.7 | Very high | 90.4 | Very high | 66 Ų | 66 | 32.5 Ų | 32.5 | 35% | 0.346 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.8 | -43.4 | -179.9 | -173.2 | 59.1 | 0 | 0 | 0 | 111.3 | V163 L243 L944 A946 T951 V952 | V163-L948 HydrophobicContact CG2-CB 4.09Å; V163-L948 HydrophobicContact CG2-CD2 3.91Å; V163-L948 HydrophobicContact CG2-CG 3.94Å; L243-L948 HydrophobicContact CD2-CB 4.48Å; L944-L948 WeakPolarHBondContact O-CB 3.36Å; L944-L948 PolarHBondContact O-N 2.96Å; A946-L948 PolarHBondContact O-N 3.3Å; L948-T951 PolarHBondContact O-N 2.8Å; L948-V952 HydrophobicContact CD1-CG2 4.11Å; L948-V952 HydrophobicContact CG-CG2 4.49Å; L948-V952 WeakPolarHBondContact O-CB 3.49Å; L948-V952 VanDerWaalsContact O-CG2 3.27Å; L948-V952 WeakPolarHBondContact O-CG2 3.08Å; L948-V952 PolarHBondContact O-N 2.83Å |
| 949 | S | 89.7 | Confident | 89.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -50.8 | -178.1 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | V163 I166 G945 A946 V952 K953 | V163-S949 VanDerWaalsContact CA-OG 3.25Å; V163-S949 WeakPolarHBondContact CA-OG 3.17Å; V163-S949 VanDerWaalsContact CG2-OG 3.3Å; V163-S949 WeakPolarHBondContact CG2-OG 3.34Å; V163-S949 PolarHBondContact N-OG 3.46Å; I166-S949 VanDerWaalsContact CD1-CB 3.47Å; G945-S949 WeakPolarHBondContact O-CB 3.35Å; G945-S949 PolarHBondContact O-N 3.05Å; G945-S949 VanDerWaalsContact O-N 3.1Å; G945-S949 PolarHBondContact O-OG 3.11Å; A946-S949 PolarHBondContact O-N 3.2Å; S949-V952 PolarHBondContact O-N 2.83Å; S949-K953 WeakPolarHBondContact O-CB 3.12Å; S949-K953 PolarHBondContact O-N 3.03Å |
| 950 | Y | 90.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -74.8 | -29.6 | -179.9 | -68.8 | -68.5 | 0 | 0 | 0 | 112.6 | I166 E176 I234 A946 V952 I954 L964 | I166-Y950 HydrophobicContact CG2-CD1 4.36Å; I166-Y950 HydrophobicContact CG2-CE1 4.22Å; E176-Y950 PolarHBondContact O-OH 2.84Å; I234-Y950 HydrophobicContact CD1-CD1 4.31Å; I234-Y950 HydrophobicContact CD1-CD2 3.57Å; I234-Y950 HydrophobicContact CD1-CE2 4.19Å; I234-Y950 HydrophobicContact CD1-CG 3.67Å; I234-Y950 HydrophobicContact CG2-CD1 3.78Å; I234-Y950 HydrophobicContact CG2-CE1 4.08Å; I234-Y950 HydrophobicContact CG2-CG 4.21Å; A946-Y950 HydrophobicContact CB-CD2 4.16Å; A946-Y950 HydrophobicContact CB-CE2 4.22Å; A946-Y950 WeakPolarHBondContact O-CD2 3.23Å; A946-Y950 PolarHBondContact O-N 3.29Å; Y950-V952 VanDerWaalsContact C-N 3.34Å; Y950-I954 VanDerWaalsContact O-CB 3.25Å; Y950-I954 WeakPolarHBondContact O-CB 3.22Å; Y950-I954 WeakPolarHBondContact O-CD1 3.32Å; Y950-I954 WeakPolarHBondContact O-CG1 3.44Å; Y950-I954 PolarHBondContact O-N 2.97Å; Y950-L964 HydrophobicContact CE1-CD1 4.27Å; Y950-L964 VanDerWaalsContact OH-CD1 3.28Å; Y950-L964 WeakPolarHBondContact OH-CD1 3.43Å |
| 951 | T | 92.2 | Very high | 88.7 | Confident | 28 Ų | 28 | 40.8 Ų | 40.8 | 17% | 0.172 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 173.2 | -62.2 | 0 | 0 | 0 | 0 | 110.6 | F236 A239 I240 G947 L948 G955 | F236-T951 HydrophobicContact CE2-CG2 4.1Å; F236-T951 HydrophobicContact CZ-CG2 4.48Å; A239-T951 WeakPolarHBondContact CB-OG1 3.21Å; I240-T951 HydrophobicContact CG1-CG2 4.36Å; G947-T951 WeakPolarHBondContact O-CB 3.18Å; G947-T951 PolarHBondContact O-N 2.7Å; G947-T951 PolarHBondContact O-OG1 3.21Å; L948-T951 PolarHBondContact O-N 2.8Å; T951-G955 WeakPolarHBondContact O-CA 3.32Å; T951-G955 PolarHBondContact O-N 2.59Å |
| 952 | V | 89.1 | Confident | 88.2 | Confident | 38 Ų | 38 | 41 Ų | 41 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.4 | -42.5 | 178.8 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | T167 L948 S949 Y950 R956 | T167-V952 HydrophobicContact CG2-CB 3.86Å; T167-V952 HydrophobicContact CG2-CG1 3.59Å; L948-V952 HydrophobicContact CD1-CG2 4.11Å; L948-V952 HydrophobicContact CG-CG2 4.49Å; L948-V952 WeakPolarHBondContact O-CB 3.49Å; L948-V952 VanDerWaalsContact O-CG2 3.27Å; L948-V952 WeakPolarHBondContact O-CG2 3.08Å; L948-V952 PolarHBondContact O-N 2.83Å; S949-V952 PolarHBondContact O-N 2.83Å; Y950-V952 VanDerWaalsContact C-N 3.34Å; V952-R956 VanDerWaalsContact CG1-CZ 3.42Å; V952-R956 WeakPolarHBondContact O-CG 3.35Å; V952-R956 PolarHBondContact O-N 3.39Å |
| 953 | K | 84.5 | Confident | 87.7 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -52.9 | 178.2 | -176 | 172.3 | -178.8 | 167.6 | 0 | 111.8 | I166 E176 S949 G955 R956 A957 | I166-K953 HydrophobicContact CG2-CB 4.48Å; I166-K953 HydrophobicContact CG2-CD 3.88Å; E176-K953 WeakPolarHBondContact OE1-CE 3.36Å; E176-K953 IonicContact OE1-NZ 3.05Å; E176-K953 PolarHBondContact OE1-NZ 3.45Å; S949-K953 WeakPolarHBondContact O-CB 3.12Å; S949-K953 PolarHBondContact O-N 3.03Å; K953-G955 VanDerWaalsContact C-N 3.35Å; K953-G955 PolarHBondContact O-N 2.86Å; K953-R956 PolarHBondContact O-N 3.45Å; K953-A957 PolarHBondContact O-N 2.8Å; K953-A957 VanDerWaalsContact O-N 3.13Å |
| 954 | I | 88.6 | Confident | 87.1 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.1 | -36.3 | -179.5 | -60.2 | 167.2 | 0 | 0 | 0 | 110.8 | I234 F236 A239 Y950 R956 A957 G960 A962 | I234-I954 HydrophobicContact CG2-CD1 4.23Å; F236-I954 HydrophobicContact CB-CG2 3.94Å; F236-I954 HydrophobicContact CD2-CB 4.1Å; F236-I954 HydrophobicContact CD2-CG2 3.78Å; F236-I954 HydrophobicContact CG-CG2 4.33Å; A239-I954 HydrophobicContact CB-CD1 4.48Å; Y950-I954 VanDerWaalsContact O-CB 3.25Å; Y950-I954 WeakPolarHBondContact O-CB 3.22Å; Y950-I954 WeakPolarHBondContact O-CD1 3.32Å; Y950-I954 WeakPolarHBondContact O-CG1 3.44Å; Y950-I954 PolarHBondContact O-N 2.97Å; I954-R956 PolarHBondContact O-N 3.35Å; I954-A957 PolarHBondContact O-N 3.19Å; I954-A957 VanDerWaalsContact O-N 3.17Å; I954-A957 VanDerWaalsContact O-O 3.13Å; I954-G960 VanDerWaalsContact CG2-C 3.43Å; I954-A962 HydrophobicContact CD1-CB 4.5Å; I954-A962 HydrophobicContact CG1-CB 4.09Å |
| 955 | G | 87.9 | Confident | 86.2 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 57% | 0.567 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.3 | -18.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T951 K953 | T951-G955 WeakPolarHBondContact O-CA 3.32Å; T951-G955 PolarHBondContact O-N 2.59Å; K953-G955 VanDerWaalsContact C-N 3.35Å; K953-G955 PolarHBondContact O-N 2.86Å |
| 956 | R | 84 | Confident | 85.7 | Confident | 182 Ų | 182 | 51.6 Ų | 51.6 | 69% | 0.687 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -96.3 | -21.4 | 173.1 | -72.2 | 179.9 | 178.4 | 134.2 | 7 | 113.5 | V952 K953 I954 | V952-R956 VanDerWaalsContact CG1-CZ 3.42Å; V952-R956 WeakPolarHBondContact O-CG 3.35Å; V952-R956 PolarHBondContact O-N 3.39Å; K953-R956 PolarHBondContact O-N 3.45Å; I954-R956 PolarHBondContact O-N 3.35Å |
| 957 | A | 79.8 | Confident | 85.2 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -78.8 | 142.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | K953 I954 V959 | K953-A957 PolarHBondContact O-N 2.8Å; K953-A957 VanDerWaalsContact O-N 3.13Å; I954-A957 PolarHBondContact O-N 3.19Å; I954-A957 VanDerWaalsContact O-N 3.17Å; I954-A957 VanDerWaalsContact O-O 3.13Å; A957-V959 HydrophobicContact CB-CG2 3.98Å; A957-V959 PolarHBondContact O-N 3.45Å |
| 958 | D | 76.8 | Confident | 84.7 | Confident | 175 Ų | 175 | 56.5 Ų | 56.5 | 94% | 0.936 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -67.9 | -20 | 171.4 | -73.1 | -32.3 | 0 | 0 | 0 | 111.6 | ||
| 959 | V | 78.8 | Confident | 84.3 | Confident | 74 Ų | 74 | 54.6 Ų | 54.6 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -92.4 | 122.3 | 176.5 | -68.4 | 0 | 0 | 0 | 0 | 110 | A957 Y961 | A957-V959 HydrophobicContact CB-CG2 3.98Å; A957-V959 PolarHBondContact O-N 3.45Å; V959-Y961 HydrophobicContact CB-CD1 4.39Å; V959-Y961 HydrophobicContact CB-CE1 4.15Å; V959-Y961 PolarHBondContact O-N 3.18Å |
| 960 | G | 84.5 | Confident | 84.1 | Confident | 46 Ų | 46 | 55.4 Ų | 55.4 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -70.1 | 21.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | F236 I954 | F236-G960 PolarHBondContact N-O 3.34Å; I954-G960 VanDerWaalsContact CG2-C 3.43Å |
| 961 | Y | 86.9 | Confident | 84 | Confident | 65 Ų | 65 | 56.5 Ų | 56.5 | 26% | 0.255 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 156.9 | 179.5 | 65.1 | -90.1 | 0 | 0 | 0 | 110.9 | K233 I234 V959 Y963 | K233-Y961 HydrophobicContact CD-CD2 4.17Å; K233-Y961 HydrophobicContact CD-CE2 4.36Å; I234-Y961 CarbonylContact O-C 3.58Å; I234-Y961 WeakPolarHBondContact O-CA 3.47Å; I234-Y961 WeakPolarHBondContact O-CB 3.45Å; V959-Y961 HydrophobicContact CB-CD1 4.39Å; V959-Y961 HydrophobicContact CB-CE1 4.15Å; V959-Y961 PolarHBondContact O-N 3.18Å; Y961-Y963 HydrophobicContact CD2-CE2 4.47Å; Y961-Y963 HydrophobicContact CE2-CD2 4.26Å; Y961-Y963 HydrophobicContact CE2-CE1 4.05Å; Y961-Y963 AromaticContact CE2-CE2 3.64Å; Y961-Y963 HydrophobicContact CE2-CE2 3.64Å; Y961-Y963 AromaticContact CE2-CZ 3.52Å; Y961-Y963 PolarHBondContact OH-OH 2.71Å |
| 962 | A | 84 | Confident | 83.9 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 152.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | K233 I234 I954 | K233-A962 WeakPolarHBondContact CA-O 3.23Å; I234-A962 HydrophobicContact CG2-CB 3.8Å; I234-A962 PolarHBondContact N-O 2.96Å; I234-A962 PolarHBondContact O-N 3Å; I954-A962 HydrophobicContact CD1-CB 4.5Å; I954-A962 HydrophobicContact CG1-CB 4.09Å |
| 963 | Y | 83 | Confident | 84 | Confident | 121 Ų | 121 | 56.8 Ų | 56.8 | 48% | 0.475 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 158.9 | 176.7 | -66.6 | -87.9 | 0 | 0 | 0 | 109.5 | E176 K233 Y961 | E176-Y963 WeakPolarHBondContact CB-O 3.17Å; E176-Y963 VanDerWaalsContact OE2-C 3.26Å; E176-Y963 VanDerWaalsContact OE2-CA 3.3Å; E176-Y963 WeakPolarHBondContact OE2-CA 3.5Å; E176-Y963 WeakPolarHBondContact OE2-CB 3.21Å; E176-Y963 PolarHBondContact OE2-N 3.49Å; K233-Y963 HydrophobicContact CD-CE1 4.46Å; K233-Y963 VanDerWaalsContact CE-CE1 3.44Å; K233-Y963 HydrophobicContact CG-CD1 4.19Å; Y961-Y963 HydrophobicContact CD2-CE2 4.47Å; Y961-Y963 HydrophobicContact CE2-CD2 4.26Å; Y961-Y963 HydrophobicContact CE2-CE1 4.05Å; Y961-Y963 AromaticContact CE2-CE2 3.64Å; Y961-Y963 HydrophobicContact CE2-CE2 3.64Å; Y961-Y963 AromaticContact CE2-CZ 3.52Å; Y961-Y963 PolarHBondContact OH-OH 2.71Å |
| 964 | L | 82.8 | Confident | 84.4 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | trans | -138.3 | 116.6 | 176.5 | -146.3 | 67.5 | 0 | 0 | 0 | 108.7 | E176 L180 I228 L229 R232 Y950 F966 | E176-L964 WeakPolarHBondContact O-CD1 3.28Å; L180-L964 HydrophobicContact CD2-CD2 3.82Å; I228-L964 HydrophobicContact CG2-CD2 4.23Å; L229-L964 HydrophobicContact CB-CD2 4.42Å; L229-L964 HydrophobicContact CD1-CD2 3.56Å; L229-L964 HydrophobicContact CD1-CG 3.91Å; R232-L964 PolarHBondContact O-N 3.04Å; Y950-L964 HydrophobicContact CE1-CD1 4.27Å; Y950-L964 VanDerWaalsContact OH-CD1 3.28Å; Y950-L964 WeakPolarHBondContact OH-CD1 3.43Å; L964-F966 PolarHBondContact O-N 3.24Å | ||
| 965 | S | 76.1 | Confident | 84.7 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 34% | 0.343 | 33% | 0.332 | S | S | . | . | trans | -68 | 127.6 | 175 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | P174 Q970 | P174-S965 PolarHBondContact O-OG 2.98Å; S965-Q970 PolarHBondContact O-NE2 3.07Å; S965-Q970 PolarHBondContact O-OE1 2.91Å | ||
| 966 | F | 81.6 | Confident | 85 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 38% | 0.382 | 31% | 0.313 | S | S | . | . | trans | -100.5 | 117.4 | 176 | 174.5 | -100.8 | 0 | 0 | 0 | 109.1 | L229 R232 L964 A971 | L229-F966 HydrophobicContact CD2-CD2 3.6Å; L229-F966 HydrophobicContact CD2-CE2 3.99Å; L229-F966 HydrophobicContact CG-CD2 3.82Å; R232-F966 HydrophobicContact CG-CB 4.34Å; L964-F966 PolarHBondContact O-N 3.24Å; F966-A971 HydrophobicContact CE2-CB 3.88Å; F966-A971 HydrophobicContact CZ-CB 3.74Å | ||
| 967 | T | 82 | Confident | 85.6 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 32% | 0.319 | 28% | 0.281 | S | S | . | . | trans | -115.2 | 155.4 | 175.4 | 70.2 | 0 | 0 | 0 | 0 | 111.4 | T969 Q970 A971 | T967-T969 PolarHBondContact O-N 2.77Å; T967-T969 PolarHBondContact OG1-OG1 3.19Å; T967-Q970 PolarHBondContact O-N 2.9Å; T967-Q970 VanDerWaalsContact OG1-CG 3.23Å; T967-Q970 WeakPolarHBondContact OG1-CG 3.21Å; T967-Q970 PolarHBondContact OG1-N 3.47Å; T967-Q970 VanDerWaalsContact OG1-N 3.15Å; T967-Q970 PolarHBondContact OG1-OE1 3.48Å; T967-A971 PolarHBondContact O-N 3.02Å | ||
| 968 | L | 83.7 | Confident | 86.4 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 27% | 0.267 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.9 | -36.7 | 174 | -178.5 | 63.8 | 0 | 0 | 0 | 111.7 | A971 L972 I1017 P1025 | L968-A971 PolarHBondContact O-N 3.13Å; L968-L972 HydrophobicContact CG-CD1 4.39Å; L968-L972 WeakPolarHBondContact O-CG 3.47Å; L968-L972 PolarHBondContact O-N 3.3Å; L968-I1017 HydrophobicContact CD2-CD1 4.17Å; L968-I1017 HydrophobicContact CD2-CG1 4.44Å; L968-I1017 HydrophobicContact CD2-CG2 4.06Å; L968-I1017 HydrophobicContact CG-CD1 4.38Å; L968-P1025 HydrophobicContact CD1-CG 4.34Å |
| 969 | T | 83.8 | Confident | 87.4 | Confident | 26 Ų | 26 | 43 Ų | 43 | 16% | 0.16 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 177.3 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | T967 L972 L973 I1017 | T967-T969 PolarHBondContact O-N 2.77Å; T967-T969 PolarHBondContact OG1-OG1 3.19Å; T969-L972 PolarHBondContact O-N 2.78Å; T969-L973 WeakPolarHBondContact O-CB 3.45Å; T969-L973 PolarHBondContact O-N 3.47Å; T969-I1017 HydrophobicContact CG2-CB 4.26Å; T969-I1017 HydrophobicContact CG2-CG2 3.7Å |
| 970 | Q | 86.1 | Confident | 88.3 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -45.2 | 172.9 | -71.8 | 165.4 | -15.1 | 0 | 0 | 111.6 | G177 L229 S965 T967 L972 L973 F974 | G177-Q970 PolarHBondContact O-NE2 3.16Å; L229-Q970 HydrophobicContact CD2-CB 3.95Å; S965-Q970 PolarHBondContact O-NE2 3.07Å; S965-Q970 PolarHBondContact O-OE1 2.91Å; T967-Q970 PolarHBondContact O-N 2.9Å; T967-Q970 VanDerWaalsContact OG1-CG 3.23Å; T967-Q970 WeakPolarHBondContact OG1-CG 3.21Å; T967-Q970 PolarHBondContact OG1-N 3.47Å; T967-Q970 VanDerWaalsContact OG1-N 3.15Å; T967-Q970 PolarHBondContact OG1-OE1 3.48Å; Q970-L972 VanDerWaalsContact C-N 3.27Å; Q970-L972 PolarHBondContact O-N 3.45Å; Q970-L973 WeakPolarHBondContact O-CB 3.45Å; Q970-L973 PolarHBondContact O-N 3.35Å; Q970-L973 VanDerWaalsContact O-N 3.07Å; Q970-F974 VanDerWaalsContact O-CD2 3.29Å; Q970-F974 WeakPolarHBondContact O-CD2 3.39Å; Q970-F974 PolarHBondContact O-N 2.81Å |
| 971 | A | 88.3 | Confident | 89 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 20% | 0.198 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.5 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F966 T967 L968 S975 | F966-A971 HydrophobicContact CE2-CB 3.88Å; F966-A971 HydrophobicContact CZ-CB 3.74Å; T967-A971 PolarHBondContact O-N 3.02Å; L968-A971 PolarHBondContact O-N 3.13Å; A971-S975 WeakPolarHBondContact O-CB 3.27Å; A971-S975 PolarHBondContact O-N 3.45Å; A971-S975 PolarHBondContact O-OG 3.49Å |
| 972 | L | 90.2 | Very high | 89.5 | Confident | 61 Ų | 61 | 37.8 Ų | 37.8 | 32% | 0.319 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65 | -42 | 173.6 | -74.9 | 168.9 | 0 | 0 | 0 | 112.6 | L968 T969 Q970 S975 C976 T1013 I1017 | L968-L972 HydrophobicContact CG-CD1 4.39Å; L968-L972 WeakPolarHBondContact O-CG 3.47Å; L968-L972 PolarHBondContact O-N 3.3Å; T969-L972 PolarHBondContact O-N 2.78Å; Q970-L972 VanDerWaalsContact C-N 3.27Å; Q970-L972 PolarHBondContact O-N 3.45Å; L972-S975 PolarHBondContact O-N 2.92Å; L972-C976 WeakPolarHBondContact O-CB 3.21Å; L972-C976 PolarHBondContact O-N 3.36Å; L972-T1013 HydrophobicContact CD1-CG2 4.36Å; L972-I1017 HydrophobicContact CD1-CD1 2.98Å; L972-I1017 HydrophobicContact CD1-CG1 4.49Å; L972-I1017 HydrophobicContact CG-CD1 4.45Å |
| 973 | L | 91.5 | Very high | 90.1 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 178.3 | 168.3 | 156.8 | 0 | 0 | 0 | 111.9 | L184 T969 Q970 C976 L977 F1010 | L184-L973 HydrophobicContact CB-CD2 3.4Å; L184-L973 VanDerWaalsContact CB-CD2 3.4Å; L184-L973 HydrophobicContact CB-CG 4.4Å; L184-L973 HydrophobicContact CD1-CD2 4Å; L184-L973 HydrophobicContact CG-CD2 4.34Å; T969-L973 WeakPolarHBondContact O-CB 3.45Å; T969-L973 PolarHBondContact O-N 3.47Å; Q970-L973 WeakPolarHBondContact O-CB 3.45Å; Q970-L973 PolarHBondContact O-N 3.35Å; Q970-L973 VanDerWaalsContact O-N 3.07Å; L973-C976 PolarHBondContact O-N 3.07Å; L973-L977 VanDerWaalsContact O-CB 3.3Å; L973-L977 WeakPolarHBondContact O-CB 3.35Å; L973-L977 PolarHBondContact O-N 3.26Å; L973-F1010 HydrophobicContact CB-CE2 3.88Å; L973-F1010 HydrophobicContact CB-CZ 3.91Å; L973-F1010 HydrophobicContact CD1-CZ 4.28Å; L973-F1010 HydrophobicContact CG-CZ 4.37Å |
| 974 | F | 92.8 | Very high | 90.7 | Very high | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 174.7 | -86.2 | -82.4 | 0 | 0 | 0 | 111.8 | L180 L184 V222 A225 A226 L229 Q970 L977 L978 | L180-F974 HydrophobicContact CD2-CZ 4.02Å; L180-F974 HydrophobicContact CG-CZ 4.44Å; L184-F974 HydrophobicContact CD1-CD1 4Å; L184-F974 HydrophobicContact CD1-CD2 4.12Å; L184-F974 HydrophobicContact CD1-CE1 3.3Å; L184-F974 HydrophobicContact CD1-CE2 3.39Å; L184-F974 HydrophobicContact CD1-CG 4.4Å; L184-F974 HydrophobicContact CD1-CZ 2.98Å; L184-F974 HydrophobicContact CG-CZ 4.45Å; V222-F974 HydrophobicContact CG1-CD1 3.9Å; V222-F974 HydrophobicContact CG1-CE1 4.41Å; A225-F974 HydrophobicContact CB-CE1 3.68Å; A225-F974 HydrophobicContact CB-CZ 4.05Å; A226-F974 HydrophobicContact CB-CD1 3.6Å; A226-F974 HydrophobicContact CB-CE1 3.9Å; A226-F974 HydrophobicContact CB-CG 4.18Å; A226-F974 VanDerWaalsContact N-CE1 3.25Å; L229-F974 HydrophobicContact CB-CE2 4.35Å; L229-F974 HydrophobicContact CB-CZ 4.47Å; L229-F974 HydrophobicContact CD2-CD2 3.82Å; L229-F974 HydrophobicContact CD2-CE2 3.6Å; L229-F974 HydrophobicContact CD2-CZ 4.49Å; L229-F974 HydrophobicContact CG-CE2 4.41Å; Q970-F974 VanDerWaalsContact O-CD2 3.29Å; Q970-F974 WeakPolarHBondContact O-CD2 3.39Å; Q970-F974 PolarHBondContact O-N 2.81Å; F974-L977 PolarHBondContact O-N 2.98Å; F974-L978 WeakPolarHBondContact O-CG 3.43Å; F974-L978 PolarHBondContact O-N 3.29Å |
| 975 | S | 93.7 | Very high | 91.4 | Very high | 76 Ų | 76 | 35.5 Ų | 35.5 | 53% | 0.531 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.2 | -44 | 179.7 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | A971 L972 A979 | A971-S975 WeakPolarHBondContact O-CB 3.27Å; A971-S975 PolarHBondContact O-N 3.45Å; A971-S975 PolarHBondContact O-OG 3.49Å; L972-S975 PolarHBondContact O-N 2.92Å; S975-A979 WeakPolarHBondContact O-CB 3.42Å; S975-A979 PolarHBondContact O-N 3.08Å |
| 976 | C | 95.8 | Very high | 92.3 | Very high | 25 Ų | 25 | 37.5 Ų | 37.5 | 17% | 0.169 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 178.1 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | L188 L972 L973 L978 A979 V980 F1010 | L188-C976 HydrophobicContact CD2-CB 4.34Å; L972-C976 WeakPolarHBondContact O-CB 3.21Å; L972-C976 PolarHBondContact O-N 3.36Å; L973-C976 PolarHBondContact O-N 3.07Å; C976-L978 PolarHBondContact O-N 3.1Å; C976-A979 WeakPolarHBondContact O-CB 3.42Å; C976-A979 PolarHBondContact O-N 3.46Å; C976-V980 WeakPolarHBondContact O-CG2 3.49Å; C976-V980 PolarHBondContact O-N 2.85Å; C976-F1010 HydrophobicContact CB-CD2 4.14Å |
| 977 | L | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 177.9 | -177.9 | 59.7 | 0 | 0 | 0 | 111.9 | L184 L188 N191 V222 L973 F974 A979 V980 L981 | L184-L977 HydrophobicContact CD2-CD2 3.79Å; L188-L977 HydrophobicContact CB-CD1 4.45Å; L188-L977 HydrophobicContact CD1-CB 4.36Å; L188-L977 HydrophobicContact CD1-CD1 4.29Å; N191-L977 WeakPolarHBondContact ND2-CD1 3.39Å; V222-L977 HydrophobicContact CB-CD2 4.47Å; V222-L977 HydrophobicContact CG1-CD2 3.92Å; V222-L977 HydrophobicContact CG1-CG 4.3Å; V222-L977 HydrophobicContact CG2-CD2 3.62Å; V222-L977 HydrophobicContact CG2-CG 4.24Å; L973-L977 VanDerWaalsContact O-CB 3.3Å; L973-L977 WeakPolarHBondContact O-CB 3.35Å; L973-L977 PolarHBondContact O-N 3.26Å; F974-L977 PolarHBondContact O-N 2.98Å; L977-A979 VanDerWaalsContact C-N 3.31Å; L977-A979 PolarHBondContact O-N 3.1Å; L977-V980 PolarHBondContact O-N 3.5Å; L977-L981 HydrophobicContact CD1-CD1 4.45Å; L977-L981 HydrophobicContact CD1-CG 4.46Å; L977-L981 HydrophobicContact CG-CD1 4.3Å; L977-L981 WeakPolarHBondContact O-CB 3.22Å; L977-L981 VanDerWaalsContact O-CG 3.31Å; L977-L981 WeakPolarHBondContact O-CG 3.2Å; L977-L981 PolarHBondContact O-N 3.29Å |
| 978 | L | 97 | Very high | 93.5 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -37.8 | 175 | -71.3 | 172 | 0 | 0 | 0 | 112.1 | M219 V222 F974 C976 T982 | M219-L978 HydrophobicContact CE-CB 4.37Å; M219-L978 HydrophobicContact CE-CD2 3.71Å; M219-L978 HydrophobicContact SD-CB 4.48Å; M219-L978 HydrophobicContact SD-CD2 3.53Å; M219-L978 VanDerWaalsContact SD-CD2 3.53Å; V222-L978 HydrophobicContact CB-CD2 3.96Å; V222-L978 HydrophobicContact CG1-CD1 4.45Å; V222-L978 HydrophobicContact CG1-CD2 3.68Å; V222-L978 HydrophobicContact CG1-CG 3.77Å; F974-L978 WeakPolarHBondContact O-CG 3.43Å; F974-L978 PolarHBondContact O-N 3.29Å; C976-L978 PolarHBondContact O-N 3.1Å; L978-T982 WeakPolarHBondContact O-CB 3.49Å; L978-T982 PolarHBondContact O-N 3.26Å; L978-T982 PolarHBondContact O-OG1 3.1Å |
| 979 | A | 97.5 | Very high | 94 | Very high | 57 Ų | 57 | 34.2 Ų | 34.2 | 47% | 0.471 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | S975 C976 L977 T982 L983 | S975-A979 WeakPolarHBondContact O-CB 3.42Å; S975-A979 PolarHBondContact O-N 3.08Å; C976-A979 WeakPolarHBondContact O-CB 3.42Å; C976-A979 PolarHBondContact O-N 3.46Å; L977-A979 VanDerWaalsContact C-N 3.31Å; L977-A979 PolarHBondContact O-N 3.1Å; A979-T982 PolarHBondContact O-N 3.27Å; A979-L983 VanDerWaalsContact O-CB 3.31Å; A979-L983 WeakPolarHBondContact O-CB 3.36Å; A979-L983 PolarHBondContact O-N 3.03Å |
| 980 | V | 97.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 176.6 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | L188 N191 T192 C976 L977 T982 L983 N984 L1003 I1006 | L188-V980 HydrophobicContact CD1-CG2 4.22Å; N191-V980 HydrophobicContact CB-CG1 4.35Å; T192-V980 HydrophobicContact CG2-CB 4.48Å; T192-V980 HydrophobicContact CG2-CG1 3.92Å; T192-V980 HydrophobicContact CG2-CG2 3.81Å; C976-V980 WeakPolarHBondContact O-CG2 3.49Å; C976-V980 PolarHBondContact O-N 2.85Å; L977-V980 PolarHBondContact O-N 3.5Å; V980-T982 VanDerWaalsContact C-N 3.33Å; V980-T982 PolarHBondContact O-N 2.87Å; V980-L983 WeakPolarHBondContact O-CB 3.32Å; V980-L983 PolarHBondContact O-N 2.75Å; V980-N984 PolarHBondContact O-N 3.37Å; V980-N984 PolarHBondContact O-ND2 3.27Å; V980-L1003 HydrophobicContact CG1-CD2 4.11Å; V980-I1006 HydrophobicContact CG2-CG2 3.89Å |
| 981 | L | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 176.9 | -70.5 | 173.8 | 0 | 0 | 0 | 111.9 | T215 Y218 M219 V222 L935 L977 N984 I985 | T215-L981 HydrophobicContact CG2-CB 4.32Å; T215-L981 HydrophobicContact CG2-CD2 4.08Å; Y218-L981 HydrophobicContact CD1-CD1 4.04Å; Y218-L981 HydrophobicContact CD1-CD2 3.67Å; Y218-L981 HydrophobicContact CE1-CD1 4.37Å; Y218-L981 HydrophobicContact CE1-CD2 4.09Å; Y218-L981 HydrophobicContact CG-CD1 4.1Å; Y218-L981 HydrophobicContact CG-CD2 4.4Å; M219-L981 HydrophobicContact CG-CB 3.9Å; M219-L981 HydrophobicContact CG-CD1 4.06Å; M219-L981 HydrophobicContact SD-CB 3.21Å; M219-L981 WeakPolarHBondContact SD-CB 3.45Å; M219-L981 HydrophobicContact SD-CD1 3.56Å; M219-L981 VanDerWaalsContact SD-CD1 3.56Å; M219-L981 HydrophobicContact SD-CG 4.02Å; V222-L981 HydrophobicContact CG2-CD1 4.32Å; L935-L981 HydrophobicContact CD2-CD2 4.14Å; L977-L981 HydrophobicContact CD1-CD1 4.45Å; L977-L981 HydrophobicContact CD1-CG 4.46Å; L977-L981 HydrophobicContact CG-CD1 4.3Å; L977-L981 WeakPolarHBondContact O-CB 3.22Å; L977-L981 VanDerWaalsContact O-CG 3.31Å; L977-L981 WeakPolarHBondContact O-CG 3.2Å; L977-L981 PolarHBondContact O-N 3.29Å; L981-N984 WeakPolarHBondContact O-CB 3.2Å; L981-N984 PolarHBondContact O-N 2.82Å; L981-I985 PolarHBondContact O-N 2.83Å |
| 982 | T | 97.6 | Very high | 94.9 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 173 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | M219 L978 A979 V980 N984 I985 L986 | M219-T982 WeakPolarHBondContact CE-OG1 3.41Å; L978-T982 WeakPolarHBondContact O-CB 3.49Å; L978-T982 PolarHBondContact O-N 3.26Å; L978-T982 PolarHBondContact O-OG1 3.1Å; A979-T982 PolarHBondContact O-N 3.27Å; V980-T982 VanDerWaalsContact C-N 3.33Å; V980-T982 PolarHBondContact O-N 2.87Å; T982-N984 VanDerWaalsContact C-N 3.33Å; T982-N984 PolarHBondContact O-N 3.43Å; T982-I985 PolarHBondContact O-N 3.37Å; T982-L986 WeakPolarHBondContact O-CB 3.3Å; T982-L986 PolarHBondContact O-N 2.9Å |
| 983 | L | 96.9 | Very high | 95.1 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63 | -38 | 175.7 | -177.2 | 67.4 | 0 | 0 | 0 | 111.8 | A979 V980 L986 T987 Y999 I1006 | A979-L983 VanDerWaalsContact O-CB 3.31Å; A979-L983 WeakPolarHBondContact O-CB 3.36Å; A979-L983 PolarHBondContact O-N 3.03Å; V980-L983 WeakPolarHBondContact O-CB 3.32Å; V980-L983 PolarHBondContact O-N 2.75Å; L983-L986 PolarHBondContact O-N 3.37Å; L983-T987 VanDerWaalsContact O-CB 3.25Å; L983-T987 WeakPolarHBondContact O-CB 3.33Å; L983-T987 PolarHBondContact O-N 3.22Å; L983-T987 PolarHBondContact O-OG1 3.38Å; L983-Y999 HydrophobicContact CD2-CE2 4.18Å; L983-Y999 HydrophobicContact CG-CE2 4.11Å; L983-I1006 HydrophobicContact CD2-CD1 3.5Å |
| 984 | N | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 174 | -77.4 | -27.8 | 0 | 0 | 0 | 111 | F211 Y931 V980 L981 T982 A988 Y999 | F211-N984 HydrophobicContact CZ-CB 4.18Å; Y931-N984 PolarHBondContact OH-OD1 2.89Å; V980-N984 PolarHBondContact O-N 3.37Å; V980-N984 PolarHBondContact O-ND2 3.27Å; L981-N984 WeakPolarHBondContact O-CB 3.2Å; L981-N984 PolarHBondContact O-N 2.82Å; T982-N984 VanDerWaalsContact C-N 3.33Å; T982-N984 PolarHBondContact O-N 3.43Å; N984-A988 VanDerWaalsContact O-CB 3.3Å; N984-A988 WeakPolarHBondContact O-CB 3.32Å; N984-A988 PolarHBondContact O-N 2.82Å; N984-Y999 WeakPolarHBondContact CA-OH 3.48Å; N984-Y999 PolarHBondContact N-OH 3.41Å; N984-Y999 PolarHBondContact OD1-OH 2.95Å |
| 985 | I | 96.8 | Very high | 95.2 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 18% | 0.179 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -48.8 | 176 | -64.2 | 176.2 | 0 | 0 | 0 | 110.6 | L212 T215 L981 T982 T987 A988 L989 | L212-I985 HydrophobicContact CD1-CD1 4.22Å; L212-I985 HydrophobicContact CD1-CG1 4.35Å; L212-I985 HydrophobicContact CD1-CG2 4.16Å; T215-I985 HydrophobicContact CG2-CD1 3.85Å; T215-I985 HydrophobicContact CG2-CG1 3.71Å; L981-I985 PolarHBondContact O-N 2.83Å; T982-I985 PolarHBondContact O-N 3.37Å; I985-T987 VanDerWaalsContact C-N 3.34Å; I985-T987 PolarHBondContact O-N 3.19Å; I985-A988 PolarHBondContact O-N 3.19Å; I985-L989 HydrophobicContact CG2-CD1 3.92Å; I985-L989 HydrophobicContact CG2-CG 4.28Å; I985-L989 VanDerWaalsContact O-CG 3.3Å; I985-L989 WeakPolarHBondContact O-CG 2.95Å; I985-L989 PolarHBondContact O-N 2.83Å |
| 986 | L | 95.9 | Very high | 95.2 | Very high | 91 Ų | 91 | 47.6 Ų | 47.6 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.2 | -45 | -178.2 | -178.9 | 59.6 | 0 | 0 | 0 | 111.4 | T982 L983 L989 I990 | T982-L986 WeakPolarHBondContact O-CB 3.3Å; T982-L986 PolarHBondContact O-N 2.9Å; L983-L986 PolarHBondContact O-N 3.37Å; L986-L989 PolarHBondContact O-N 3.01Å; L986-I990 HydrophobicContact CD1-CD1 3.84Å; L986-I990 HydrophobicContact CD1-CG1 4.15Å; L986-I990 HydrophobicContact CD2-CD1 4.43Å; L986-I990 HydrophobicContact CG-CD1 3.73Å; L986-I990 HydrophobicContact CG-CG1 4.41Å; L986-I990 WeakPolarHBondContact O-CB 3.27Å; L986-I990 WeakPolarHBondContact O-CG1 3.43Å; L986-I990 PolarHBondContact O-N 3.2Å |
| 987 | T | 94.7 | Very high | 95.2 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 13% | 0.129 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 177.6 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | L983 I985 L989 I990 G991 F995 Y999 | L983-T987 VanDerWaalsContact O-CB 3.25Å; L983-T987 WeakPolarHBondContact O-CB 3.33Å; L983-T987 PolarHBondContact O-N 3.22Å; L983-T987 PolarHBondContact O-OG1 3.38Å; I985-T987 VanDerWaalsContact C-N 3.34Å; I985-T987 PolarHBondContact O-N 3.19Å; T987-L989 VanDerWaalsContact C-N 3.33Å; T987-L989 PolarHBondContact O-N 2.81Å; T987-I990 PolarHBondContact O-N 2.79Å; T987-G991 PolarHBondContact O-N 3.04Å; T987-F995 HydrophobicContact CG2-CD1 4.23Å; T987-F995 HydrophobicContact CG2-CE1 4.07Å; T987-Y999 HydrophobicContact CG2-CD1 4.13Å; T987-Y999 HydrophobicContact CG2-CD2 3.69Å; T987-Y999 HydrophobicContact CG2-CE1 4.21Å; T987-Y999 HydrophobicContact CG2-CE2 3.76Å; T987-Y999 HydrophobicContact CG2-CG 3.88Å; T987-Y999 VanDerWaalsContact OG1-CE2 3.24Å; T987-Y999 WeakPolarHBondContact OG1-CE2 3.39Å |
| 988 | A | 94.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | F211 N984 I985 R992 F993 F995 | F211-A988 HydrophobicContact CD1-CB 4.19Å; F211-A988 HydrophobicContact CE1-CB 3.39Å; F211-A988 HydrophobicContact CZ-CB 3.93Å; N984-A988 VanDerWaalsContact O-CB 3.3Å; N984-A988 WeakPolarHBondContact O-CB 3.32Å; N984-A988 PolarHBondContact O-N 2.82Å; I985-A988 PolarHBondContact O-N 3.19Å; A988-R992 CarbonylContact O-C 3.58Å; A988-R992 PolarHBondContact O-N 2.94Å; A988-F993 HydrophobicContact CB-CD1 3.96Å; A988-F993 HydrophobicContact CB-CE1 4.18Å; A988-F993 HydrophobicContact CB-CG 4.45Å; A988-F993 PolarHBondContact O-N 3.35Å; A988-F995 HydrophobicContact CB-CZ 4.24Å |
| 989 | L | 94.2 | Very high | 95.2 | Very high | 99 Ų | 99 | 58.1 Ų | 58.1 | 52% | 0.518 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.9 | -41 | 176.7 | -67.4 | 176 | 0 | 0 | 0 | 112.3 | I985 L986 T987 F993 | I985-L989 HydrophobicContact CG2-CD1 3.92Å; I985-L989 HydrophobicContact CG2-CG 4.28Å; I985-L989 VanDerWaalsContact O-CG 3.3Å; I985-L989 WeakPolarHBondContact O-CG 2.95Å; I985-L989 PolarHBondContact O-N 2.83Å; L986-L989 PolarHBondContact O-N 3.01Å; T987-L989 VanDerWaalsContact C-N 3.33Å; T987-L989 PolarHBondContact O-N 2.81Å; L989-F993 HydrophobicContact CD2-CE2 4.44Å; L989-F993 HydrophobicContact CD2-CZ 4.3Å |
| 990 | I | 94 | Very high | 95.1 | Very high | 90 Ų | 90 | 55.4 Ų | 55.4 | 46% | 0.462 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.6 | -48.3 | 178.3 | -69.3 | 171.7 | 0 | 0 | 0 | 110.9 | L986 T987 R992 | L986-I990 HydrophobicContact CD1-CD1 3.84Å; L986-I990 HydrophobicContact CD1-CG1 4.15Å; L986-I990 HydrophobicContact CD2-CD1 4.43Å; L986-I990 HydrophobicContact CG-CD1 3.73Å; L986-I990 HydrophobicContact CG-CG1 4.41Å; L986-I990 WeakPolarHBondContact O-CB 3.27Å; L986-I990 WeakPolarHBondContact O-CG1 3.43Å; L986-I990 PolarHBondContact O-N 3.2Å; T987-I990 PolarHBondContact O-N 2.79Å; I990-R992 PolarHBondContact O-N 3.48Å |
| 991 | G | 90.2 | Very high | 95.1 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 5.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T987 F993 Q994 | T987-G991 PolarHBondContact O-N 3.04Å; G991-F993 PolarHBondContact O-N 3.31Å; G991-Q994 WeakPolarHBondContact O-CB 3.49Å; G991-Q994 PolarHBondContact O-N 2.98Å; G991-Q994 VanDerWaalsContact O-N 3.11Å |
| 992 | R | 92.6 | Very high | 95.1 | Very high | 197 Ų | 197 | 62 Ų | 62 | 74% | 0.743 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 41 | -171.8 | -59 | -173.8 | 175.8 | -168 | -0 | 112.7 | A988 I990 Q994 | A988-R992 CarbonylContact O-C 3.58Å; A988-R992 PolarHBondContact O-N 2.94Å; I990-R992 PolarHBondContact O-N 3.48Å; R992-Q994 VanDerWaalsContact C-N 3.26Å; R992-Q994 PolarHBondContact O-N 3.07Å |
| 993 | F | 93.2 | Very high | 95.1 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 25.9 | 180 | -58.7 | -100.7 | 0 | 0 | 0 | 113.7 | K205 I206 R208 F211 A988 L989 G991 | K205-F993 CarbonylContact C-O 2.87Å; K205-F993 WeakPolarHBondContact CA-O 3.23Å; I206-F993 HydrophobicContact CG2-CB 3.77Å; I206-F993 HydrophobicContact CG2-CD1 3.81Å; I206-F993 HydrophobicContact CG2-CG 4.3Å; I206-F993 PolarHBondContact N-O 3.07Å; R208-F993 HydrophobicContact CB-CD1 4.12Å; R208-F993 HydrophobicContact CB-CD2 4.43Å; R208-F993 HydrophobicContact CB-CE1 3.83Å; R208-F993 HydrophobicContact CB-CE2 4.17Å; R208-F993 HydrophobicContact CB-CG 4.4Å; R208-F993 HydrophobicContact CB-CZ 3.85Å; R208-F993 HydrophobicContact CG-CB 4.32Å; R208-F993 HydrophobicContact CG-CD1 3.89Å; R208-F993 HydrophobicContact CG-CD2 3.59Å; R208-F993 HydrophobicContact CG-CE1 4Å; R208-F993 HydrophobicContact CG-CE2 3.71Å; R208-F993 HydrophobicContact CG-CG 3.68Å; R208-F993 HydrophobicContact CG-CZ 3.9Å; R208-F993 VanDerWaalsContact NE-CE2 3.27Å; F211-F993 HydrophobicContact CD1-CD1 4.16Å; F211-F993 AromaticContact CD1-CE1 3.96Å; F211-F993 HydrophobicContact CD1-CE1 3.96Å; F211-F993 HydrophobicContact CE1-CE1 4.47Å; A988-F993 HydrophobicContact CB-CD1 3.96Å; A988-F993 HydrophobicContact CB-CE1 4.18Å; A988-F993 HydrophobicContact CB-CG 4.45Å; A988-F993 PolarHBondContact O-N 3.35Å; L989-F993 HydrophobicContact CD2-CE2 4.44Å; L989-F993 HydrophobicContact CD2-CZ 4.3Å; G991-F993 PolarHBondContact O-N 3.31Å |
| 994 | Q | 93.1 | Very high | 95.1 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.7 | 167.3 | -64.3 | -73.6 | 4 | 0 | 0 | 108.9 | K205 G991 R992 Y996 | K205-Q994 VanDerWaalsContact CA-OE1 3.3Å; K205-Q994 VanDerWaalsContact CB-OE1 3.24Å; K205-Q994 HydrophobicContact CG-CG 4.43Å; G991-Q994 WeakPolarHBondContact O-CB 3.49Å; G991-Q994 PolarHBondContact O-N 2.98Å; G991-Q994 VanDerWaalsContact O-N 3.11Å; R992-Q994 VanDerWaalsContact C-N 3.26Å; R992-Q994 PolarHBondContact O-N 3.07Å; Q994-Y996 HydrophobicContact CB-CE2 4.28Å |
| 995 | F | 93.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121.3 | 173.5 | -73 | -60.7 | 0 | 0 | 0 | 110.1 | I199 P203 F204 I206 F211 Y931 T987 A988 Y999 | I199-F995 HydrophobicContact CD1-CB 4.42Å; I199-F995 HydrophobicContact CD1-CD1 4.48Å; I199-F995 HydrophobicContact CD1-CG 4.34Å; I199-F995 HydrophobicContact CG1-CB 4.19Å; I199-F995 HydrophobicContact CG2-CB 4.05Å; P203-F995 WeakPolarHBondContact CB-O 3.48Å; F204-F995 HydrophobicContact CE2-CD2 4.41Å; F204-F995 HydrophobicContact CZ-CD2 4.13Å; F204-F995 PolarHBondContact O-N 3.19Å; I206-F995 HydrophobicContact CB-CD2 4.29Å; I206-F995 HydrophobicContact CB-CE2 4.11Å; I206-F995 HydrophobicContact CD1-CE2 3.93Å; I206-F995 HydrophobicContact CG2-CD2 4.23Å; I206-F995 HydrophobicContact CG2-CE2 3.78Å; F211-F995 HydrophobicContact CE2-CZ 4.3Å; F211-F995 HydrophobicContact CZ-CZ 4.17Å; Y931-F995 AromaticContact CE1-CE2 3.96Å; Y931-F995 HydrophobicContact CE1-CE2 3.96Å; Y931-F995 HydrophobicContact CE1-CZ 4.44Å; Y931-F995 HydrophobicContact CE2-CE2 4.49Å; Y931-F995 AromaticContact CZ-CE2 3.89Å; T987-F995 HydrophobicContact CG2-CD1 4.23Å; T987-F995 HydrophobicContact CG2-CE1 4.07Å; A988-F995 HydrophobicContact CB-CZ 4.24Å; F995-Y999 AromaticContact CD1-CD1 3.47Å; F995-Y999 HydrophobicContact CD1-CD1 3.47Å; F995-Y999 VanDerWaalsContact CD1-CD1 3.47Å; F995-Y999 AromaticContact CD1-CE1 3.78Å; F995-Y999 HydrophobicContact CD1-CE1 3.78Å; F995-Y999 HydrophobicContact CD1-CG 4.39Å; F995-Y999 AromaticContact CE1-CD1 3.78Å; F995-Y999 HydrophobicContact CE1-CD1 3.78Å; F995-Y999 AromaticContact CE1-CE1 3.55Å; F995-Y999 HydrophobicContact CE1-CE1 3.55Å; F995-Y999 HydrophobicContact CG-CD1 4.46Å |
| 996 | Y | 94.2 | Very high | 95.2 | Very high | 116 Ų | 116 | 63.4 Ų | 63.4 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -97.6 | 153 | 178.4 | -58.3 | -78.7 | 0 | 0 | 0 | 110.7 | I199 Q994 Y998 Y999 | I199-Y996 WeakPolarHBondContact CG2-O 3.49Å; Q994-Y996 HydrophobicContact CB-CE2 4.28Å; Y996-Y998 VanDerWaalsContact C-N 3.26Å; Y996-Y998 AromaticContact CD2-CE1 3.76Å; Y996-Y998 HydrophobicContact CD2-CE1 3.76Å; Y996-Y998 HydrophobicContact CG-CD1 4.4Å; Y996-Y998 AromaticContact CG-CE1 3.71Å; Y996-Y998 HydrophobicContact CG-CE1 3.71Å; Y996-Y998 PolarHBondContact O-N 3.47Å; Y996-Y998 VanDerWaalsContact O-N 3.12Å; Y996-Y999 VanDerWaalsContact O-CB 3.3Å; Y996-Y999 WeakPolarHBondContact O-CB 3.47Å; Y996-Y999 PolarHBondContact O-N 3.36Å |
| 997 | R | 96.7 | Very high | 95.1 | Very high | 141 Ų | 141 | 60.1 Ų | 60.1 | 53% | 0.532 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.1 | -37.8 | -177.2 | -67.4 | -173.5 | 170.2 | 161.6 | 0.4 | 114.8 | F200 P203 Y999 G1000 I1001 | F200-R997 HydrophobicContact CD2-CB 4.47Å; F200-R997 WeakPolarHBondContact O-CD 3.45Å; F200-R997 WeakPolarHBondContact O-CG 3.46Å; F200-R997 PolarHBondContact O-NE 2.87Å; P203-R997 HydrophobicContact CB-CG 4.29Å; P203-R997 HydrophobicContact CG-CG 4.13Å; R997-Y999 PolarHBondContact O-N 2.87Å; R997-G1000 PolarHBondContact O-N 3.27Å; R997-G1000 VanDerWaalsContact O-N 3.09Å; R997-I1001 PolarHBondContact O-N 3.48Å |
| 998 | Y | 95.5 | Very high | 95.1 | Very high | 139 Ų | 139 | 63.9 Ų | 63.9 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.3 | -29.4 | 179.7 | 70.2 | -99.7 | 0 | 0 | 0 | 112.4 | Y996 G1000 I1001 V1002 | Y996-Y998 VanDerWaalsContact C-N 3.26Å; Y996-Y998 AromaticContact CD2-CE1 3.76Å; Y996-Y998 HydrophobicContact CD2-CE1 3.76Å; Y996-Y998 HydrophobicContact CG-CD1 4.4Å; Y996-Y998 AromaticContact CG-CE1 3.71Å; Y996-Y998 HydrophobicContact CG-CE1 3.71Å; Y996-Y998 PolarHBondContact O-N 3.47Å; Y996-Y998 VanDerWaalsContact O-N 3.12Å; Y998-G1000 VanDerWaalsContact C-N 3.32Å; Y998-I1001 PolarHBondContact O-N 3.4Å; Y998-V1002 WeakPolarHBondContact O-CG2 3.1Å; Y998-V1002 PolarHBondContact O-N 3.24Å; Y998-V1002 VanDerWaalsContact O-N 3.1Å |
| 999 | Y | 96.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 67.9 Ų | 67.9 | 2% | 0.024 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 177.6 | -177 | -119 | 0 | 0 | 0 | 111.6 | I199 L983 N984 T987 F995 Y996 R997 I1001 V1002 L1003 | I199-Y999 HydrophobicContact CD1-CD1 3.75Å; I199-Y999 HydrophobicContact CD1-CE1 4.11Å; L983-Y999 HydrophobicContact CD2-CE2 4.18Å; L983-Y999 HydrophobicContact CG-CE2 4.11Å; N984-Y999 WeakPolarHBondContact CA-OH 3.48Å; N984-Y999 PolarHBondContact N-OH 3.41Å; N984-Y999 PolarHBondContact OD1-OH 2.95Å; T987-Y999 HydrophobicContact CG2-CD1 4.13Å; T987-Y999 HydrophobicContact CG2-CD2 3.69Å; T987-Y999 HydrophobicContact CG2-CE1 4.21Å; T987-Y999 HydrophobicContact CG2-CE2 3.76Å; T987-Y999 HydrophobicContact CG2-CG 3.88Å; T987-Y999 VanDerWaalsContact OG1-CE2 3.24Å; T987-Y999 WeakPolarHBondContact OG1-CE2 3.39Å; F995-Y999 AromaticContact CD1-CD1 3.47Å; F995-Y999 HydrophobicContact CD1-CD1 3.47Å; F995-Y999 VanDerWaalsContact CD1-CD1 3.47Å; F995-Y999 AromaticContact CD1-CE1 3.78Å; F995-Y999 HydrophobicContact CD1-CE1 3.78Å; F995-Y999 HydrophobicContact CD1-CG 4.39Å; F995-Y999 AromaticContact CE1-CD1 3.78Å; F995-Y999 HydrophobicContact CE1-CD1 3.78Å; F995-Y999 AromaticContact CE1-CE1 3.55Å; F995-Y999 HydrophobicContact CE1-CE1 3.55Å; F995-Y999 HydrophobicContact CG-CD1 4.46Å; Y996-Y999 VanDerWaalsContact O-CB 3.3Å; Y996-Y999 WeakPolarHBondContact O-CB 3.47Å; Y996-Y999 PolarHBondContact O-N 3.36Å; R997-Y999 PolarHBondContact O-N 2.87Å; Y999-I1001 VanDerWaalsContact C-N 3.31Å; Y999-I1001 PolarHBondContact O-N 3.22Å; Y999-V1002 WeakPolarHBondContact O-CB 3.17Å; Y999-V1002 PolarHBondContact O-N 2.99Å; Y999-L1003 HydrophobicContact CD1-CD1 4.24Å; Y999-L1003 HydrophobicContact CE1-CD1 3.79Å; Y999-L1003 HydrophobicContact CE1-CD2 4.45Å; Y999-L1003 HydrophobicContact CE1-CG 4.15Å; Y999-L1003 HydrophobicContact CE2-CD2 4.46Å; Y999-L1003 HydrophobicContact CE2-CG 4.45Å; Y999-L1003 PolarHBondContact O-N 3.46Å |
| 1000 | G | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G196 R997 Y998 L1003 I1004 | G196-G1000 WeakPolarHBondContact O-CA 3.21Å; R997-G1000 PolarHBondContact O-N 3.27Å; R997-G1000 VanDerWaalsContact O-N 3.09Å; Y998-G1000 VanDerWaalsContact C-N 3.32Å; G1000-L1003 PolarHBondContact O-N 3.27Å; G1000-I1004 WeakPolarHBondContact O-CG1 3.24Å; G1000-I1004 PolarHBondContact O-N 2.9Å |
| 1001 | I | 97.7 | Very high | 94.8 | Very high | 80 Ų | 80 | 61 Ų | 61 | 41% | 0.41 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 174.5 | -57.4 | 173.7 | 0 | 0 | 0 | 110.9 | F200 R997 Y998 Y999 L1003 I1004 I1005 | F200-I1001 HydrophobicContact CD2-CD1 4.24Å; F200-I1001 HydrophobicContact CD2-CG1 3.95Å; F200-I1001 HydrophobicContact CE2-CD1 4.09Å; F200-I1001 HydrophobicContact CE2-CG1 4.23Å; R997-I1001 PolarHBondContact O-N 3.48Å; Y998-I1001 PolarHBondContact O-N 3.4Å; Y999-I1001 VanDerWaalsContact C-N 3.31Å; Y999-I1001 PolarHBondContact O-N 3.22Å; I1001-L1003 VanDerWaalsContact C-N 3.31Å; I1001-L1003 PolarHBondContact O-N 3.08Å; I1001-I1004 PolarHBondContact O-N 3.42Å; I1001-I1005 HydrophobicContact CG2-CD1 3.93Å; I1001-I1005 HydrophobicContact CG2-CG1 4.43Å; I1001-I1005 WeakPolarHBondContact O-CG1 3.48Å; I1001-I1005 PolarHBondContact O-N 3.15Å |
| 1002 | V | 97.4 | Very high | 94.8 | Very high | 61 Ų | 61 | 63.8 Ų | 63.8 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.5 | -43 | 177 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | Y998 Y999 I1005 I1006 | Y998-V1002 WeakPolarHBondContact O-CG2 3.1Å; Y998-V1002 PolarHBondContact O-N 3.24Å; Y998-V1002 VanDerWaalsContact O-N 3.1Å; Y999-V1002 WeakPolarHBondContact O-CB 3.17Å; Y999-V1002 PolarHBondContact O-N 2.99Å; V1002-I1005 PolarHBondContact O-N 3.16Å; V1002-I1006 HydrophobicContact CG1-CD1 3.95Å; V1002-I1006 WeakPolarHBondContact O-CG1 3.38Å; V1002-I1006 PolarHBondContact O-N 3.17Å |
| 1003 | L | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 177.5 | -71.3 | 175.4 | 0 | 0 | 0 | 112.5 | T192 A195 I199 V980 Y999 G1000 I1001 I1005 I1006 Y1007 | T192-L1003 WeakPolarHBondContact O-CB 3.29Å; A195-L1003 HydrophobicContact CB-CD1 4.35Å; I199-L1003 HydrophobicContact CD1-CD1 4.06Å; V980-L1003 HydrophobicContact CG1-CD2 4.11Å; Y999-L1003 HydrophobicContact CD1-CD1 4.24Å; Y999-L1003 HydrophobicContact CE1-CD1 3.79Å; Y999-L1003 HydrophobicContact CE1-CD2 4.45Å; Y999-L1003 HydrophobicContact CE1-CG 4.15Å; Y999-L1003 HydrophobicContact CE2-CD2 4.46Å; Y999-L1003 HydrophobicContact CE2-CG 4.45Å; Y999-L1003 PolarHBondContact O-N 3.46Å; G1000-L1003 PolarHBondContact O-N 3.27Å; I1001-L1003 VanDerWaalsContact C-N 3.31Å; I1001-L1003 PolarHBondContact O-N 3.08Å; L1003-I1005 VanDerWaalsContact C-N 3.35Å; L1003-I1005 PolarHBondContact O-N 2.82Å; L1003-I1006 PolarHBondContact O-N 2.91Å; L1003-Y1007 PolarHBondContact O-N 3.09Å; L1003-Y1007 VanDerWaalsContact O-N 3.14Å |
| 1004 | I | 96.8 | Very high | 94.4 | Very high | 46 Ų | 46 | 55.9 Ų | 55.9 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 177 | -65 | 165.8 | 0 | 0 | 0 | 110.8 | L197 G1000 I1001 I1006 Y1007 L1008 | L197-I1004 HydrophobicContact CD2-CD1 4.25Å; L197-I1004 HydrophobicContact CG-CD1 4.42Å; G1000-I1004 WeakPolarHBondContact O-CG1 3.24Å; G1000-I1004 PolarHBondContact O-N 2.9Å; I1001-I1004 PolarHBondContact O-N 3.42Å; I1004-I1006 PolarHBondContact O-N 3.19Å; I1004-Y1007 PolarHBondContact O-N 3.02Å; I1004-L1008 HydrophobicContact CG2-CD1 4.4Å; I1004-L1008 WeakPolarHBondContact O-CG 3.43Å; I1004-L1008 PolarHBondContact O-N 3.2Å |
| 1005 | I | 97.3 | Very high | 94.1 | Very high | 93 Ų | 93 | 54.8 Ų | 54.8 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 176.7 | -68.1 | 168.7 | 0 | 0 | 0 | 111 | I1001 V1002 L1003 Y1007 L1008 V1009 | I1001-I1005 HydrophobicContact CG2-CD1 3.93Å; I1001-I1005 HydrophobicContact CG2-CG1 4.43Å; I1001-I1005 WeakPolarHBondContact O-CG1 3.48Å; I1001-I1005 PolarHBondContact O-N 3.15Å; V1002-I1005 PolarHBondContact O-N 3.16Å; L1003-I1005 VanDerWaalsContact C-N 3.35Å; L1003-I1005 PolarHBondContact O-N 2.82Å; I1005-Y1007 VanDerWaalsContact C-N 3.27Å; I1005-Y1007 PolarHBondContact O-N 3.46Å; I1005-L1008 PolarHBondContact O-N 2.96Å; I1005-V1009 HydrophobicContact CG2-CG2 4.42Å; I1005-V1009 WeakPolarHBondContact O-CG2 3.4Å; I1005-V1009 PolarHBondContact O-N 3.37Å |
| 1006 | I | 96.5 | Very high | 93.8 | Very high | 47 Ų | 47 | 58.2 Ų | 58.2 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 177.3 | -69.8 | 165.5 | 0 | 0 | 0 | 110.8 | V980 L983 V1002 L1003 I1004 V1009 F1010 | V980-I1006 HydrophobicContact CG2-CG2 3.89Å; L983-I1006 HydrophobicContact CD2-CD1 3.5Å; V1002-I1006 HydrophobicContact CG1-CD1 3.95Å; V1002-I1006 WeakPolarHBondContact O-CG1 3.38Å; V1002-I1006 PolarHBondContact O-N 3.17Å; L1003-I1006 PolarHBondContact O-N 2.91Å; I1004-I1006 PolarHBondContact O-N 3.19Å; I1006-V1009 PolarHBondContact O-N 3.28Å; I1006-F1010 PolarHBondContact O-N 2.93Å |
| 1007 | Y | 94.6 | Very high | 93.4 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 9% | 0.09 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 176.4 | -176.6 | -102.4 | 0 | 0 | 0 | 112.6 | L188 L189 T192 V193 L1003 I1004 I1005 V1009 F1010 V1011 | L188-Y1007 HydrophobicContact CG-CD2 4.43Å; L189-Y1007 HydrophobicContact CB-CD2 4.49Å; L189-Y1007 HydrophobicContact CB-CE2 3.74Å; L189-Y1007 HydrophobicContact CD1-CE2 4.49Å; L189-Y1007 WeakPolarHBondContact CD1-OH 3.47Å; L189-Y1007 HydrophobicContact CG-CE1 4.4Å; L189-Y1007 HydrophobicContact CG-CE2 4.01Å; T192-Y1007 WeakPolarHBondContact OG1-CB 3.47Å; T192-Y1007 WeakPolarHBondContact OG1-CD2 3.36Å; V193-Y1007 HydrophobicContact CG2-CD1 3.35Å; V193-Y1007 HydrophobicContact CG2-CD2 4.26Å; V193-Y1007 HydrophobicContact CG2-CE1 3.89Å; V193-Y1007 HydrophobicContact CG2-CG 3.56Å; L1003-Y1007 PolarHBondContact O-N 3.09Å; L1003-Y1007 VanDerWaalsContact O-N 3.14Å; I1004-Y1007 PolarHBondContact O-N 3.02Å; I1005-Y1007 VanDerWaalsContact C-N 3.27Å; I1005-Y1007 PolarHBondContact O-N 3.46Å; Y1007-V1009 VanDerWaalsContact C-N 3.29Å; Y1007-V1009 PolarHBondContact O-N 3.49Å; Y1007-F1010 HydrophobicContact CD2-CD1 4.47Å; Y1007-F1010 HydrophobicContact CE2-CD1 4.4Å; Y1007-F1010 WeakPolarHBondContact O-CB 3.19Å; Y1007-F1010 PolarHBondContact O-N 2.85Å; Y1007-F1010 VanDerWaalsContact O-N 3.12Å; Y1007-V1011 HydrophobicContact CD1-CG2 3.95Å; Y1007-V1011 HydrophobicContact CD2-CG2 4.34Å; Y1007-V1011 HydrophobicContact CE1-CG2 3.45Å; Y1007-V1011 VanDerWaalsContact CE1-CG2 3.45Å; Y1007-V1011 HydrophobicContact CE2-CG2 3.87Å; Y1007-V1011 HydrophobicContact CG-CG2 4.37Å; Y1007-V1011 WeakPolarHBondContact O-CG2 3.49Å; Y1007-V1011 PolarHBondContact O-N 3.38Å |
| 1008 | L | 93.5 | Very high | 92.5 | Very high | 100 Ų | 100 | 51.2 Ų | 51.2 | 52% | 0.524 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | 176.5 | -68 | 176.3 | 0 | 0 | 0 | 112 | I1004 I1005 T1012 | I1004-L1008 HydrophobicContact CG2-CD1 4.4Å; I1004-L1008 WeakPolarHBondContact O-CG 3.43Å; I1004-L1008 PolarHBondContact O-N 3.2Å; I1005-L1008 PolarHBondContact O-N 2.96Å; L1008-T1012 WeakPolarHBondContact O-CB 3.21Å; L1008-T1012 VanDerWaalsContact O-CG2 3.25Å; L1008-T1012 WeakPolarHBondContact O-CG2 3.46Å; L1008-T1012 PolarHBondContact O-N 2.89Å; L1008-T1012 PolarHBondContact O-OG1 3.34Å |
| 1009 | V | 94.5 | Very high | 91.9 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 173.8 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | I1005 I1006 Y1007 T1012 T1013 | I1005-V1009 HydrophobicContact CG2-CG2 4.42Å; I1005-V1009 WeakPolarHBondContact O-CG2 3.4Å; I1005-V1009 PolarHBondContact O-N 3.37Å; I1006-V1009 PolarHBondContact O-N 3.28Å; Y1007-V1009 VanDerWaalsContact C-N 3.29Å; Y1007-V1009 PolarHBondContact O-N 3.49Å; V1009-T1012 WeakPolarHBondContact CA-OG1 3.47Å; V1009-T1012 PolarHBondContact O-OG1 2.78Å; V1009-T1013 WeakPolarHBondContact O-CB 3.3Å; V1009-T1013 PolarHBondContact O-N 2.83Å; V1009-T1013 PolarHBondContact O-OG1 3.31Å |
| 1010 | F | 92.5 | Very high | 91 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -51 | 175.3 | 165.6 | -98 | 0 | 0 | 0 | 111.8 | L188 L973 C976 I1006 Y1007 T1012 T1013 A1014 | L188-F1010 HydrophobicContact CD2-CD1 3.48Å; L188-F1010 VanDerWaalsContact CD2-CD1 3.48Å; L188-F1010 HydrophobicContact CD2-CD2 3.89Å; L188-F1010 HydrophobicContact CD2-CE1 3.53Å; L188-F1010 HydrophobicContact CD2-CE2 3.93Å; L188-F1010 HydrophobicContact CD2-CG 3.67Å; L188-F1010 HydrophobicContact CD2-CZ 3.76Å; L973-F1010 HydrophobicContact CB-CE2 3.88Å; L973-F1010 HydrophobicContact CB-CZ 3.91Å; L973-F1010 HydrophobicContact CD1-CZ 4.28Å; L973-F1010 HydrophobicContact CG-CZ 4.37Å; C976-F1010 HydrophobicContact CB-CD2 4.14Å; I1006-F1010 PolarHBondContact O-N 2.93Å; Y1007-F1010 HydrophobicContact CD2-CD1 4.47Å; Y1007-F1010 HydrophobicContact CE2-CD1 4.4Å; Y1007-F1010 WeakPolarHBondContact O-CB 3.19Å; Y1007-F1010 PolarHBondContact O-N 2.85Å; Y1007-F1010 VanDerWaalsContact O-N 3.12Å; F1010-T1012 PolarHBondContact O-N 2.83Å; F1010-T1013 PolarHBondContact O-N 2.92Å; F1010-A1014 HydrophobicContact CZ-CB 4.45Å; F1010-A1014 WeakPolarHBondContact O-CB 3.4Å; F1010-A1014 PolarHBondContact O-N 2.98Å |
| 1011 | V | 90.3 | Very high | 90.3 | Very high | 19 Ų | 19 | 59.1 Ų | 59.1 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | -178.3 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | Y1007 T1013 A1014 I1015 | Y1007-V1011 HydrophobicContact CD1-CG2 3.95Å; Y1007-V1011 HydrophobicContact CD2-CG2 4.34Å; Y1007-V1011 HydrophobicContact CE1-CG2 3.45Å; Y1007-V1011 VanDerWaalsContact CE1-CG2 3.45Å; Y1007-V1011 HydrophobicContact CE2-CG2 3.87Å; Y1007-V1011 HydrophobicContact CG-CG2 4.37Å; Y1007-V1011 WeakPolarHBondContact O-CG2 3.49Å; Y1007-V1011 PolarHBondContact O-N 3.38Å; V1011-T1013 VanDerWaalsContact C-N 3.35Å; V1011-T1013 PolarHBondContact O-N 3.34Å; V1011-A1014 PolarHBondContact O-N 3.39Å; V1011-I1015 HydrophobicContact CG1-CD1 3.73Å; V1011-I1015 HydrophobicContact CG1-CG1 4.37Å; V1011-I1015 VanDerWaalsContact O-CG1 3.29Å; V1011-I1015 WeakPolarHBondContact O-CG1 3.48Å; V1011-I1015 PolarHBondContact O-N 2.95Å |
| 1012 | T | 90.1 | Very high | 89.3 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 47% | 0.466 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.4 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | L1008 V1009 F1010 I1015 L1016 | L1008-T1012 WeakPolarHBondContact O-CB 3.21Å; L1008-T1012 VanDerWaalsContact O-CG2 3.25Å; L1008-T1012 WeakPolarHBondContact O-CG2 3.46Å; L1008-T1012 PolarHBondContact O-N 2.89Å; L1008-T1012 PolarHBondContact O-OG1 3.34Å; V1009-T1012 WeakPolarHBondContact CA-OG1 3.47Å; V1009-T1012 PolarHBondContact O-OG1 2.78Å; F1010-T1012 PolarHBondContact O-N 2.83Å; T1012-I1015 PolarHBondContact O-N 3.45Å; T1012-L1016 WeakPolarHBondContact O-CB 3.37Å; T1012-L1016 WeakPolarHBondContact O-CG 3.45Å; T1012-L1016 PolarHBondContact O-N 2.97Å |
| 1013 | T | 90.3 | Very high | 88 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 28% | 0.276 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.9 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | L972 V1009 F1010 V1011 L1016 I1017 I1022 | L972-T1013 HydrophobicContact CD1-CG2 4.36Å; V1009-T1013 WeakPolarHBondContact O-CB 3.3Å; V1009-T1013 PolarHBondContact O-N 2.83Å; V1009-T1013 PolarHBondContact O-OG1 3.31Å; F1010-T1013 PolarHBondContact O-N 2.92Å; V1011-T1013 VanDerWaalsContact C-N 3.35Å; V1011-T1013 PolarHBondContact O-N 3.34Å; T1013-L1016 PolarHBondContact O-N 3.14Å; T1013-I1017 HydrophobicContact CG2-CD1 4.03Å; T1013-I1017 WeakPolarHBondContact O-CG1 3.42Å; T1013-I1017 PolarHBondContact O-N 3.45Å; T1013-I1022 HydrophobicContact CG2-CD1 4.19Å |
| 1014 | A | 87.2 | Confident | 86.3 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L903 F1010 V1011 L1016 I1017 E1018 | L903-A1014 HydrophobicContact CD1-CB 4.4Å; F1010-A1014 HydrophobicContact CZ-CB 4.45Å; F1010-A1014 WeakPolarHBondContact O-CB 3.4Å; F1010-A1014 PolarHBondContact O-N 2.98Å; V1011-A1014 PolarHBondContact O-N 3.39Å; A1014-L1016 VanDerWaalsContact C-N 3.34Å; A1014-L1016 PolarHBondContact O-N 3.42Å; A1014-I1017 PolarHBondContact O-N 3.32Å; A1014-E1018 PolarHBondContact O-N 2.78Å |
| 1015 | I | 86.1 | Confident | 84.6 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 23% | 0.226 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -42.7 | 175.1 | -67.8 | 168.3 | 0 | 0 | 0 | 110.5 | I900 V1011 T1012 I1017 E1018 V1019 | I900-I1015 HydrophobicContact CG1-CG2 4.3Å; V1011-I1015 HydrophobicContact CG1-CD1 3.73Å; V1011-I1015 HydrophobicContact CG1-CG1 4.37Å; V1011-I1015 VanDerWaalsContact O-CG1 3.29Å; V1011-I1015 WeakPolarHBondContact O-CG1 3.48Å; V1011-I1015 PolarHBondContact O-N 2.95Å; T1012-I1015 PolarHBondContact O-N 3.45Å; I1015-I1017 VanDerWaalsContact C-N 3.32Å; I1015-I1017 PolarHBondContact O-N 3.34Å; I1015-E1018 PolarHBondContact O-N 3.43Å; I1015-V1019 HydrophobicContact CG2-CG2 4.2Å; I1015-V1019 VanDerWaalsContact O-CG2 3.27Å; I1015-V1019 WeakPolarHBondContact O-CG2 3.45Å; I1015-V1019 PolarHBondContact O-N 3.06Å |
| 1016 | L | 87.5 | Confident | 82.7 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 39% | 0.387 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.8 | -32.6 | 179 | -72.8 | 171.6 | 0 | 0 | 0 | 113.4 | T1012 T1013 A1014 V1021 I1022 | T1012-L1016 WeakPolarHBondContact O-CB 3.37Å; T1012-L1016 WeakPolarHBondContact O-CG 3.45Å; T1012-L1016 PolarHBondContact O-N 2.97Å; T1013-L1016 PolarHBondContact O-N 3.14Å; A1014-L1016 VanDerWaalsContact C-N 3.34Å; A1014-L1016 PolarHBondContact O-N 3.42Å; L1016-V1021 HydrophobicContact CD2-CB 4.14Å; L1016-V1021 HydrophobicContact CD2-CG1 4.12Å; L1016-V1021 HydrophobicContact CD2-CG2 4.35Å; L1016-V1021 WeakPolarHBondContact O-CA 3.38Å; L1016-V1021 WeakPolarHBondContact O-CB 3.22Å; L1016-V1021 PolarHBondContact O-N 3.31Å; L1016-I1022 HydrophobicContact CB-CD1 3.53Å; L1016-I1022 HydrophobicContact CB-CG1 3.88Å; L1016-I1022 HydrophobicContact CD1-CD1 4.07Å; L1016-I1022 HydrophobicContact CG-CD1 4.46Å; L1016-I1022 PolarHBondContact O-N 3.36Å |
| 1017 | I | 85.3 | Confident | 80.6 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 8% | 0.082 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.8 | -43.3 | 174.5 | -72.3 | 165.5 | 0 | 0 | 0 | 110.7 | L968 T969 L972 T1013 A1014 I1015 D1020 I1022 | L968-I1017 HydrophobicContact CD2-CD1 4.17Å; L968-I1017 HydrophobicContact CD2-CG1 4.44Å; L968-I1017 HydrophobicContact CD2-CG2 4.06Å; L968-I1017 HydrophobicContact CG-CD1 4.38Å; T969-I1017 HydrophobicContact CG2-CB 4.26Å; T969-I1017 HydrophobicContact CG2-CG2 3.7Å; L972-I1017 HydrophobicContact CD1-CD1 2.98Å; L972-I1017 HydrophobicContact CD1-CG1 4.49Å; L972-I1017 HydrophobicContact CG-CD1 4.45Å; T1013-I1017 HydrophobicContact CG2-CD1 4.03Å; T1013-I1017 WeakPolarHBondContact O-CG1 3.42Å; T1013-I1017 PolarHBondContact O-N 3.45Å; A1014-I1017 PolarHBondContact O-N 3.32Å; I1015-I1017 VanDerWaalsContact C-N 3.32Å; I1015-I1017 PolarHBondContact O-N 3.34Å; I1017-D1020 WeakPolarHBondContact O-CA 3.43Å; I1017-D1020 PolarHBondContact O-N 3.1Å; I1017-D1020 VanDerWaalsContact O-N 3.1Å; I1017-I1022 HydrophobicContact CG1-CB 3.69Å; I1017-I1022 HydrophobicContact CG1-CD1 4.2Å; I1017-I1022 HydrophobicContact CG1-CG2 3.77Å |
| 1018 | E | 79.1 | Confident | 78.9 | Confident | 95 Ų | 95 | 69.7 Ų | 69.7 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -72.1 | -34.2 | -176.8 | -166.9 | 79.5 | -171.7 | 0 | 0 | 113.3 | A899 A1014 I1015 D1020 | A899-E1018 HydrophobicContact CB-CB 4.37Å; A899-E1018 HydrophobicContact CB-CG 3.3Å; A1014-E1018 PolarHBondContact O-N 2.78Å; I1015-E1018 PolarHBondContact O-N 3.43Å; E1018-D1020 PolarHBondContact O-N 3.26Å; E1018-D1020 VanDerWaalsContact O-N 3.08Å |
| 1019 | V | 82.6 | Confident | 76.9 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 12.5 | 172.7 | -176 | 0 | 0 | 0 | 0 | 111 | I1015 V1021 | I1015-V1019 HydrophobicContact CG2-CG2 4.2Å; I1015-V1019 VanDerWaalsContact O-CG2 3.27Å; I1015-V1019 WeakPolarHBondContact O-CG2 3.45Å; I1015-V1019 PolarHBondContact O-N 3.06Å; V1019-V1021 HydrophobicContact CB-CG2 4.17Å; V1019-V1021 HydrophobicContact CG1-CG2 3.99Å; V1019-V1021 PolarHBondContact O-N 3.34Å |
| 1020 | D | 78 | Confident | 74.9 | Confident | 133 Ų | 133 | 75 Ų | 75 | 71% | 0.711 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 19.7 | -178.4 | -71.1 | -46 | 0 | 0 | 0 | 114.4 | I1017 E1018 | I1017-D1020 WeakPolarHBondContact O-CA 3.43Å; I1017-D1020 PolarHBondContact O-N 3.1Å; I1017-D1020 VanDerWaalsContact O-N 3.1Å; E1018-D1020 PolarHBondContact O-N 3.26Å; E1018-D1020 VanDerWaalsContact O-N 3.08Å |
| 1021 | V | 81.2 | Confident | 72.5 | Confident | 95 Ų | 95 | 77.9 Ų | 77.9 | 58% | 0.576 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -73.8 | -41.9 | 175.4 | -178 | 0 | 0 | 0 | 0 | 109.8 | L1016 V1019 | L1016-V1021 HydrophobicContact CD2-CB 4.14Å; L1016-V1021 HydrophobicContact CD2-CG1 4.12Å; L1016-V1021 HydrophobicContact CD2-CG2 4.35Å; L1016-V1021 WeakPolarHBondContact O-CA 3.38Å; L1016-V1021 WeakPolarHBondContact O-CB 3.22Å; L1016-V1021 PolarHBondContact O-N 3.31Å; V1019-V1021 HydrophobicContact CB-CG2 4.17Å; V1019-V1021 HydrophobicContact CG1-CG2 3.99Å; V1019-V1021 PolarHBondContact O-N 3.34Å |
| 1022 | I | 77.7 | Confident | 70.2 | Confident | 54 Ų | 54 | 83.4 Ų | 83.4 | 28% | 0.277 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -96.1 | 100.6 | 170.8 | -62.5 | 170.9 | 0 | 0 | 0 | 107.6 | T1013 L1016 I1017 | T1013-I1022 HydrophobicContact CG2-CD1 4.19Å; L1016-I1022 HydrophobicContact CB-CD1 3.53Å; L1016-I1022 HydrophobicContact CB-CG1 3.88Å; L1016-I1022 HydrophobicContact CD1-CD1 4.07Å; L1016-I1022 HydrophobicContact CG-CD1 4.46Å; L1016-I1022 PolarHBondContact O-N 3.36Å; I1017-I1022 HydrophobicContact CG1-CB 3.69Å; I1017-I1022 HydrophobicContact CG1-CD1 4.2Å; I1017-I1022 HydrophobicContact CG1-CG2 3.77Å |
| 1023 | V | 68.5 | Low | 67.9 | Low | 57 Ų | 57 | 83.7 Ų | 83.7 | 35% | 0.345 | 49% | 0.49 | S | S | . | . | trans | -67.8 | 137.1 | -178.3 | -163.4 | 0 | 0 | 0 | 0 | 110.7 | N1027 W1028 | V1023-N1027 HydrophobicContact CG1-CB 3.4Å; V1023-N1027 WeakPolarHBondContact CG1-ND2 3.24Å; V1023-W1028 PolarHBondContact O-NE1 2.81Å; V1023-W1028 VanDerWaalsContact O-NE1 3.14Å | ||
| 1024 | S | 62.7 | Low | 65.2 | Low | 45 Ų | 45 | 87.8 Ų | 87.8 | 32% | 0.315 | 51% | 0.514 | S | S | . | . | trans | -51.2 | 143.1 | 172.9 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | V1026 N1027 | S1024-V1026 PolarHBondContact O-N 3.37Å; S1024-V1026 PolarHBondContact OG-N 2.85Å; S1024-N1027 PolarHBondContact O-N 2.73Å | ||
| 1025 | P | 61.5 | Low | 62.8 | Low | 61 Ų | 61 | 98.3 Ų | 98.3 | 40% | 0.396 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.8 | -21 | 173.8 | -25.4 | 32.4 | 0 | 0 | 0 | 114.3 | L968 N1027 W1028 | L968-P1025 HydrophobicContact CD1-CG 4.34Å; P1025-N1027 PolarHBondContact O-N 3.27Å; P1025-W1028 HydrophobicContact CB-CE3 4.34Å; P1025-W1028 HydrophobicContact CG-CE3 4.5Å; P1025-W1028 CarbonylContact O-C 3.58Å; P1025-W1028 WeakPolarHBondContact O-CB 3.39Å; P1025-W1028 PolarHBondContact O-N 2.93Å |
| 1026 | V | 57.7 | Low | 61.6 | Low | 111 Ų | 111 | 101.1 Ų | 101.1 | 67% | 0.673 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -29.6 | 174.7 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | S1024 | S1024-V1026 PolarHBondContact O-N 3.37Å; S1024-V1026 PolarHBondContact OG-N 2.85Å |
| 1027 | N | 52.7 | Low | 60.3 | Low | 113 Ų | 113 | 102.5 Ų | 102.5 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -11.3 | 175.1 | -64.6 | -17.7 | 0 | 0 | 0 | 112.7 | V1023 S1024 P1025 N1029 | V1023-N1027 HydrophobicContact CG1-CB 3.4Å; V1023-N1027 WeakPolarHBondContact CG1-ND2 3.24Å; S1024-N1027 PolarHBondContact O-N 2.73Å; P1025-N1027 PolarHBondContact O-N 3.27Å; N1027-N1029 PolarHBondContact O-N 3.49Å |
| 1028 | W | 58.1 | Low | 58.9 | Low | 132 Ų | 132 | 107.3 Ų | 107.3 | 50% | 0.5 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -74.6 | 107.6 | 164 | -59.2 | -1.7 | 0 | 0 | 0 | 103.7 | V1023 P1025 L1030 | V1023-W1028 PolarHBondContact O-NE1 2.81Å; V1023-W1028 VanDerWaalsContact O-NE1 3.14Å; P1025-W1028 HydrophobicContact CB-CE3 4.34Å; P1025-W1028 HydrophobicContact CG-CE3 4.5Å; P1025-W1028 CarbonylContact O-C 3.58Å; P1025-W1028 WeakPolarHBondContact O-CB 3.39Å; P1025-W1028 PolarHBondContact O-N 2.93Å; W1028-L1030 HydrophobicContact CB-CB 4.45Å; W1028-L1030 HydrophobicContact CB-CD1 3.59Å; W1028-L1030 HydrophobicContact CB-CG 3.99Å; W1028-L1030 HydrophobicContact CD2-CD1 4.12Å; W1028-L1030 HydrophobicContact CE3-CD1 3.48Å; W1028-L1030 VanDerWaalsContact CE3-CD1 3.48Å; W1028-L1030 HydrophobicContact CG-CD1 4.23Å; W1028-L1030 HydrophobicContact CZ3-CD1 4.45Å; W1028-L1030 PolarHBondContact O-N 3.16Å |
| 1029 | N | 52.6 | Low | 57.7 | Low | 165 Ų | 165 | 108 Ų | 108 | 88% | 0.882 | 63% | 0.629 | S | S | * | * | trans | -64.3 | 43.7 | 171.4 | -74.4 | -36.4 | 0 | 0 | 0 | 111.7 | N1027 A1031 | N1027-N1029 PolarHBondContact O-N 3.49Å; N1029-A1031 PolarHBondContact O-N 2.84Å; N1029-A1031 VanDerWaalsContact O-N 3.1Å | ||
| 1030 | L | 51.4 | Low | 56.1 | Low | 131 Ų | 131 | 109.6 Ų | 109.6 | 69% | 0.686 | 64% | 0.637 | S | S | * | * | trans | -74 | 94.5 | 168.2 | -74.8 | 160.2 | 0 | 0 | 0 | 106.1 | W1028 | W1028-L1030 HydrophobicContact CB-CB 4.45Å; W1028-L1030 HydrophobicContact CB-CD1 3.59Å; W1028-L1030 HydrophobicContact CB-CG 3.99Å; W1028-L1030 HydrophobicContact CD2-CD1 4.12Å; W1028-L1030 HydrophobicContact CE3-CD1 3.48Å; W1028-L1030 VanDerWaalsContact CE3-CD1 3.48Å; W1028-L1030 HydrophobicContact CG-CD1 4.23Å; W1028-L1030 HydrophobicContact CZ3-CD1 4.45Å; W1028-L1030 PolarHBondContact O-N 3.16Å | ||
| 1031 | A | 41.6 | Very low | 54.7 | Low | 84 Ų | 84 | 108.1 Ų | 108.1 | 69% | 0.694 | 63% | 0.632 | S | S | * | * | trans | -41.4 | 145.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1029 | N1029-A1031 PolarHBondContact O-N 2.84Å; N1029-A1031 VanDerWaalsContact O-N 3.1Å | ||
| 1032 | T | 42.8 | Very low | 52.8 | Low | 135 Ų | 135 | 109 Ų | 109 | 83% | 0.828 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 99.7 | 79.4 | 166.7 | 73.3 | 0 | 0 | 0 | 0 | 117.6 | T1034 | T1032-T1034 PolarHBondContact O-N 3.34Š|
| 1033 | G | 41.3 | Very low | 50.8 | Low | 83 Ų | 83 | 113.2 Ų | 113.2 | 86% | 0.856 | 66% | 0.664 | S | S | * | * | S | Bend | 95.2 | 6 | 113 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||
| 1034 | T | 34.6 | Very low | 49.4 | Very low | 130 Ų | 130 | 117.9 Ų | 117.9 | 80% | 0.798 | 69% | 0.69 | S | S | * | * | trans | -141.1 | 107.8 | 166.4 | 54.6 | 0 | 0 | 0 | 0 | 110 | T1032 | T1032-T1034 PolarHBondContact O-N 3.34Š| ||
| 1035 | E | 35.7 | Very low | 48.2 | Very low | 225 Ų | 225 | 124.5 Ų | 124.5 | 100% | 1.051 | 72% | 0.724 | S | S | * | * | trans | -55.2 | 0 | 155.2 | -63.6 | -178.8 | 167.7 | 0 | 0 | 111.7 | R232 | R232-E1035 PolarHBondContact NH2-O 3.24Š|
Retrieved 1,035 of 1,035 residues in 212.3 ms
(Link to these results)